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A REVIEW on COMPUTER AIDED DRUG DESIGN (CAAD) and IT’S IMPLICATIONS in DRUG DISCOVERY and DEVELOPMENT PROCESS

Yesenia Harris

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About Authors
Ms. Priti B. Savant,Ms. Ashwini R. Pawar, Ms. Kaufiya D. Sayyed , Ms. Pooja R. Yelmar
1,2,3,4 Sahyadri College of Pharmacy Methwade Tal, Sangola, Distsolapur Maharashtra 413307

ABSTRACT :
Computer-aided drug design (CADD) provides a variety of tools and techniques that assist in the various stages of drug design, thereby reducing the cost of drug research and development time. Drug discovery and the development of a new drug is a long, complex, costly and highly risky process that has no equal in the commercial world. Therefore, computer-aided drug design (CADD) approaches are widely used in the pharmaceutical industry to speed up the process. The cost advantage of using computational tools in the lead optimization phase of drug development is significant. The cost and time invested by pharmacological research laboratories are heavy at various stages of drug discovery, starting from therapeutic target setting candidate drug discovery to evaluating the efficacy and safety of newly developed drugs, drug optimization through preclinical and extensive clinical trials. Major pharmaceutical companies have invested heavily in routine ultra High Throughput Screening (uHTS) of large numbers of drug-like molecules. In parallel, drug design and optimization are increasingly using computers for virtual screening. Recent advances in DNA microarray experiments are discovering that thousands of genes involved in a disease can be used to gain in-depth information about disease targets, metabolic pathways, and toxicity of drugs. Theoretical tools include empirical molecular mechanics, quantum mechanics, and more recently statistical mechanics. This latest advance allowed the inclusion of overt solvent effects. All this is largely the availability of high-quality computer graphics supported on workstations.

INTRODUCTION :
Computer-aided drug design (CADD) provides a variety of tools and techniques that assist in the various stages of drug design, thereby reducing the cost of drug research and development time. Drug discovery and the development of a new drug is a long, complex, costly and highly risky process that has no equal in the commercial world. Therefore, computer-aided drug design (CADD) approaches are widely used in the pharmaceutical industry to speed up the process. The cost advantage of using computational tools in the lead optimization phase of drug development is significant. The cost and time invested by pharmacological research laboratories are heavy at various stages of drug discovery, starting from therapeutic target setting candidate drug discovery to evaluating the efficacy and safety of newly developed drugs, drug optimization through preclinical and extensive clinical trials. Major pharmaceutical companies have invested heavily in routine ultra High Throughput Screening (uHTS) of large numbers of drug-like molecules. In parallel, drug design and optimization are increasingly using computers for virtual screening. Recent advances in DNA microarray experiments are discovering that thousands of genes involved in a disease can be used to gain in-depth information about disease targets, metabolic pathways, and toxicity of drugs. Theoretical tools include empirical molecular mechanics, quantum mechanics, and more recently statistical mechanics. This latest advance allowed the inclusion of overt solvent effects. All this is largely the availability of high-quality computer graphics supported on workstations.

Sr,No.

DRUG

DISEASE

TARGET

1

Oxymorphone

Opioid analgesic

Agonist of

mu-opiniod receptor

2

Saquinavir

AIDS

Inhibits proteases of HIV1 and HIV 2

3

Captopril

Hypertension or high BP

Inhibits conversion of angiotensin-converting enzyme

4

Zanamivir

Affects influenza A and influenza B

Inhibits neuraminidase

5

Dorzolamide

Glaucoma

Inhibits carbonic anhydrase

DRUG DISCOVERY AND DEVELOPMENT PROCESS
Drug discovery can be defined as the process of identifying chemical entities that have the potential to be therapeutic agents. An important role of drug discovery campaigns is the recognition of new molecular entities that may be valuable in the treatment of diseases characterized as unmet medical needs. The development of a drug is a very complex process that can take about 5-10 years from the first idea to hitting the market and cost USD 1.7 billion. A new development idea, current requirements of the market, emerging diseases, academic and clinical research, commercial sector, etc. It can come from a variety of sources, including Once a target has been selected for discovery, the pharmaceutical industries or related academic centers work on early processes to identify chemical molecules with suitable properties to make targeted drugs.

In the last few years, CADD has grown rapidly, reinforcing the perception of multifaceted and difficult biological processes. With the help of these computational tools, it is now possible to find new pharmacologically active agents in a short time.

HISTORY OF CADD :
A Brief History of CADD In 1900, the concept of receiver and lock-key was given by P.Ehrich (1909) and E. Fisher. In the 1970s the concept of Quantitative structure-activity relationships (QS-AR) was established, It had limitations: 2-Dimensional, retrospective analysis; In the 1980s, CADD Molecular Biology, X-ray crystallography, multidimensional NMR along with computer graphics started the era of molecular modeling. In the 1990s, more modern techniques such as Human genome Bioinformatics were introduced in the Innovative world of medical science along with Combinatorial chemistry and High throughput screening.

DRUG DISCOVERY PROCESS :
From the original idea to the launch of a finished product, developing a new drug is a complex process that can take 12-15 years and costs more than USD 1 billion. A goal idea can come from a variety of sources, including academic and clinical research, and the commercial sector. It may take many years to generate supporting evidence before choosing a target for an expensive drug discovery program. Once a target has been selected, the pharmaceutical industry and, more recently, some academic centers streamlined a series of early processes to identify molecules with properties suitable for making acceptable drugs. Product Characterization.
o Formulation, Delivery, Packaging Development.
o Pharmacokinetics and Drug Disposal.
o Preclinical Toxicology Test and IND Application.
o Bioanalytical Test.
o Clinical trials.

Various stages of drug design
o Choose a disease
o Choose a drug target
o Define a bioassay
o Find a precursor compound
o Isolate and purify lead compound if necessary
o Determine the structure of the lead compound
o Define the structure Activity relationship
o Identify the pharmacophore
o Improve target interaction.

Commonly Used Methods in Drug Design
Drug Design can basically be divided into two types: Ligand-based drug design (LBDD) and Structure-based drug design (SBDD)
o Ligand-based drug design or indirect drug design
o Structure-based drug design or direct drug design
o Rational drug design
o Computer aided drug design

1] Ligand-based drug design or indirect drug design
Ligand-based drug design is an approach used in the absence of receptor 3D information and relies on knowledge of molecules that bind to the biological target of interest. 3D quantitative structure activity relationships (3D QSAR) and pharmacophore modeling are the most important and widely used tools in ligand-based drug design. They can provide appropriate predictive models for lead identification and optimization.
Ligand-based drug design is an approach used in the absence of receptor 3D information and relies on knowledge of molecules that bind to the biological target of interest.
a) Ligand-Based Drug Design consists of the information of molecules that bind to the desired target site.
b) These molecules can be used to derive a Pharmacophore model.
c) A pharmacophore model is defined as a molecule with the necessary structural abilities to bind to a desired target site.
d) Once the Pharmacophore is identified, it is determined whether it is suitable for the receptor, otherwise the Pharmacophore is further modified to make a potential drug.[4]

Figure-1 : General steps involved in ligand based drug design

Important tools used in ligand-based drug design

1] Quantitative structure-activity relationships (QSAR)
Quantitative structure-activity relationship models are regression or classification models used in the chemical and biological sciences and engineering. Like other regression models, QSAR regression models correlate a number of “predictive” variables with potency.
response variable (Y), while the classification QSAR models correlate the estimator variables are converted to a categorical value of the response variable. In order to place 10 different groups at the 4 positions of the benzene ring, the number of compounds required for synthesis is 10. Solution: Synthesize a small number of compounds and derive from their data.rules for predicting the biological activity of other compounds.
A] VEGA platform [https://www.vegahub.eu/portfolio-item/vega-qsar/]
Using the VEGA platform, you can access a range of QSAR models for regulatory purposes or develop your own for research purposes. QSAR models can be used to predict the property of a chemical compound using information from its structure.
B] DEMETRA [http://www.demetra-tox.net/]
DEMETRA is an EU funded project. The aim of this project was to develop predictive models and software that give a quantitative estimate of the toxicity of a molecule, specifically pesticide molecules, candidate pesticides and their derivatives. The input is the chemical structure of the compound.
software algorithms use “Quantitative Structure-Activity Relationships” (QSARs). The DEMETRA software tool can be used for toxicity estimation of pesticide molecules and related compounds. DEMETRA
Models are freely available. Five models were developed to predict toxicity to trout, daphnia, quail and bees. The software is based on the homogeneous integration of the knowledge acquired in the DEMETRA EU project, using the best algorithms obtained as the basis for hybrid combination models to be used for prediction purposes.
C] T.E.S.T [https://www.epa.gov/chemical-research/toxicity-estimation-software-tool-test]
The Toxicity Estimation Software Tool (T.E.S.T.) will allow users to easily estimate acute toxicity using the above QSAR methodologies.
D] OCHEM [https://ochem.eu/home/show.do]
OCHEM is an online database of experimental measurements integrated with the modeling environment. Submit your experimental data or use data uploaded by other users to create predictive QSAR models for physical-chemical or biological properties.
E] E-DRAGON [http://www.vcclab.org/lab/edragon/]
E-DRAGON by Milan Chemometrics and QSAR Research Group by Prof. It is an electronic remote version of the well-known software DRAGON, an application for the calculation of molecular descriptors developed by R. Todeschini. These descriptors can be used for molecular structure-activity or structure-property relationships as well as similarity analysis and high-throughput screening of the molecule database.
F] SeeSAR [https://www.biosolveit.de/SeeSAR/]
SeeSAR is a software tool for interactive, visual composite prioritization and composite evolution. Structure-based design work ideally supports a multi-parameter optimization to maximize the probability of success rather than similarity alone. One of SeeSAR’s strengths is that the relevant parameters are at hand, along with real-time visual computer assistance in 3D.
G] Dragon [https://chm.kode-solutions.net/products_dragon.php]
Dragon calculates 5,270 molecular descriptors covering most of the various theoretical approaches. The list of descriptors includes the simplest types of atoms, functional groups and part counts, topological and geometric descriptors, three-dimensional descriptors, as well as several property predictions (such as logP) and drug-like and lead-like stimuli (such as Lipinski’s). Alarm).
H] PaDEL-Descriptor [http://www.yapcwsoft.com/dd/padeldescriptor/]
A software to calculate molecular identifiers and fingerprints. The software currently calculates 1875 identifiers (1444 1D, 2D identifiers and 431 3D identifiers) and 12 types of fingerprints (16092 bits total).
Identifiers and fingerprints are calculated using The Chemistry Development Kit, which has additional identifiers and fingerprints such as atom type electrotopological state descriptors, Crippen logP and MR, extended topochemical atom (ETA) descriptors, McGowan volume, molecular linear free energy relationship descriptors, ring numbers. The number of chemical substructures and binary fingerprints identified by Laggner and the number of chemical substructures identified by Klekota and Roth.

2] PHARMACOPHOR
Molecular similarity-based search is the simplest LBDD technique to identify desired small molecules. Molecular similarity-based searching is both an independent and integral part of other LBDD and SBDD techniques, where small molecule libraries are searched using molecular identifiers. Molecular descriptors are characteristic numerical values that represent small molecules and range from simple physicochemical properties to complex structural properties. Examples of molecular descriptors include molecular weight, atom types, bond distances, surface area, electro-negativities, atomic distributions, aromaticity indices, solvent properties, and others. Molecular descriptors are derived through experiments, quantum-mechanical tools, or prior knowledge. Depending on the “dimensionality”, molecular identifiers can be 1D, 2D or 3D identifiers. 1D descriptors are scalar physicochemical properties of a molecule, such as molecular weight, logP values, and molar refraction. 2D identifiers are derived from molecular structure or configuration and include topological indexes and 2D fingerprints. 3D descriptors are derived from the conformation of molecules. 3D descriptors can identify 3D fingerprints, dipole moments, highest occupied molecular orbital/lowest unoccupied molecular orbital energies, electrostatic potentials, etc. includes. A list of software that predicts molecular annotation

Figure-2 : Typical ligand based pharmacophore generation and screening workflow

Table-1 : Common software to predict molecular descriptors

Software

Number of Types of Prediction Detectors


ADAPT

>260 (topological, geometrical, electronic, physicochemical)


ADMET Predictor

>290 (constitutional, functional group counts, topological, E-state, moriguchi descriptors, meylan flags, molecular patterns, electronic properties, 3D descriptors, hydrogen bonding, acidebase ionization, empirical estimates of quantum descriptors)

CODESSA


>1500 (constitutional, topological, geometrical, charge related, semiempirical, thermodynamical)

DRAGON

>5200 (constitutional, topological, 2D autocorrelations, geometrical, WHIM, GETAWAY, RDF, functional groups, properties, 2D binary and 2D frequency fingerprints, etc.)

MARVIN Beans

>500 (physicochemical, topological, geometrical, fingerprints, etc.)


MOE

>300 (topological, physical properties, structural keys, etc.)


MOLGENQSPR

>700 (constitutional, topological, geometrical, etc.)


PreADMET

>955 (constitutional, topological, geometrical, physicochemical, etc.)


2] Structure-based drug design or direct drug design
Structure-based drug design (SBDD) is the process that includes virtual screening and de novo drug design. These methods are a highly efficient and alternative approach to the discovery and development of the drug design course. In virtual scanning, drug chemical compounds are computationally screened against known target structure [5,6]. In classical or advanced pharmacology or legacy drug design and development, rational drug design is very costly and efficient. The first step in rational drug design method or reverse pharmacology is to identify promising target proteins used for screening small molecule libraries. Structure-based virtual scanning (SBVS), molecular docking and molecular dynamics (MD) are methods used in SBDD, a more specific, efficient and rapid process for lead discovery and optimization, because they are approximately related to the 3D structure of a Target protein. analysis of disease and binding energies at the molecular level, ligand protein interaction induction insertion process.[5,6] There are many drugs identified by SBDD with the help of some techniques such as thymidylate synthase inhibitor, raltitrexed and potential HIV protease inhibitor. these were discovered by MD simulation and the antibiotic norfloxacin [7,8,9,10]. The three-dimensional (3D) structure of proteins (more than 100,000) is provided in SBDD.

Figure-3 : Workflow of Structure Based Drug Design

The various principle and efficient methods for SBDD workflow

1] Identification of target protein and binding site:
Target protein identification is the key step in the SBDD process. It provided clear information on the binding site of the target macromolecule, protein-ligand interaction, post-docking dynamics, as well as hydrogen bond formation, which helped to calculate the best pharmacophores of the ‘new’ ligand. The binding sites determined experimentally by integrative structural biology techniques in the 3D structure of the target macromolecule such as NMR, X-ray crystallography. The next step is to identify the binding pocket after the target protein is resolved. It is a very small space where the ligand binds and also exerts its therapeutic or desired effect. These methods provide information on energy interaction and Van der Waals (vdW) forces for binding site mapping. There are many methods developed by energy interaction calculations for binding site mapping specifically for SBDD, and these methods identify specific regions of the target protein that interact with appropriate functional groups on drugs. These identify with the protein Q-site Finder [11][12][13][14]
2] Molecular docking
Molecular docking is a virtual simulation technique used to model the interaction between a small molecule and a protein at the atomic level. This technique is also used to characterize the behavior of small molecules at the binding site of the target protein The insertion process involves two basic steps – the estimation of ligand conformation and the second is the binding of the ligand within the target active site with accuracy, so this technique is widely used in structure-based drug design (SBDD).
3] Scoring function
The scoring function assists an insertion program into the ligand binding site. The scoring function also helps calculate the binding affinity between protein and ligand functions. Scoring functions are divided into force field, empirical, knowledge-based, and machine learning.
An early general-purpose empirical scoring function was developed by Bohm to describe the binding energy of ligands to receptors

Table-2 : Softwares for Structure-Based Drug Designing (SBDD)

Stages

Tools used

Brief Description

Links

1.Target modeling

SWISS-MODEL

Homology modeling

https://swissmodel.expasy.org/


MODELER

Homology Modelling

https://salilab.org/modeller/


Phyre and Phyre2

Template detection alignment as well as 3D modeling

http://www.sbg.bio.ic.ac.uk/phyre2/html/page.cgi?id=index

2.Binding site

CASTp

Binding site prediction

http://sts.bioe.uic.edu/castp/index.html?201l


Active site prediction tool

Active site prediction

http://www.scfbio-iitd.res.in/dock/ActiveSite.jsp

3. Molecular Docking

AutoDockVina

Molecular docking and virtual screening

Homepage


Schrodinger

Maestro

https://www.schrodinger.com/products/maestro


CADD in the drug discovery process
CADD can be combined with wet laboratory techniques to elucidate and accelerate the drug discovery process to design new drugs (eg antibiotics) for both known and novel targets. CADD simplifies the drug design process by minimizing time and cost.[15[16][17]

Figure4 : CADD Process

Advantages of CADD
1. A cost-effective, time-saving, fast and automated process.
2.It give an idea about the drug-receptor interaction pattern.
3. Minimize synthetic and biological testing efforts.
4. Minimize the possibility of failure in the final stage.

REFERENCES :
1. A review on computer aided drug design,international journal of emerging technologies and innovatives research page no.1165-1176 march 2020.
2. Song CM, Lim SJ, Tong JC. Recent advance in computer aided drug design. Brief in bio information. 2009.
3. Hughes, J P et al. “Principles of early drug discovery.” British journal of pharmacology vol. 162,6 (2011): 1239-49. doi:10.1111/j.1476-5381.2010.01127.x
4. Crasto AM. All About Drugs. Mumbai, India:[Publisher unknown]; Available from: http://www.allfordrugs.com/drug-design/
5. Lionta E., Spyrou G., Vassilatis D.K., Cournia Z. Structure-based virtual screening for drug discovery: Principles, applications and recent advances. Curr. Top. Med. Chem. 2014;14:1923-1938. doi: 10.2174/1568026614666140929124445.
6. Kalyaanamoorthy S., Chen Y.P. Structure-based drug design to augment hit discovery. Drug Discov. Today. 2011;16:831-839. doi: 10.1016/j.drudis.2011.07.006.
7. Anderson A.C. The process of structure-based drug design. Chem. Biol. 2003;10:787-797. doi: 10.1016/j.chembiol.2003.09.002.
8. Wlodawer A., Vondrasek J. Inhibitors of HIV-1 protease: A major success of structure-assisted drug design. Annu Rev. BiophysBiomol. Struct. 1998;27:249-284. doi: 10.1146/annurev.biophys.27.1.249.
9. 20. Clark D.E. What has computer-aided molecular design ever done for drug discovery? Expert Opin. Drug Discov. 2006;1:103-110. doi: 10.1517/17460441.1.2.103.
10. 21. Rutenber E.E., Stroud R.M. Binding of the anticancer drug zd1694 to E. Coli thymidylate synthase: Assessing specificity and affinity. Structure. 1996;4:1317-1324. doi: 10.1016/S0969-2126(96)00139- 6.
11. Laurie A.T., Jackson R.M. Q-sitefinder: An energy-based method for the prediction of protein-ligand binding sites. Bioinformatics. 2005;21:1908-1916.
12. Zhang Y.; hand.; Tian H.; Jiao Y.; Shi Z.; Ran T.; Liu H.; Lu S.; Xu A.; Qiao X.; Pau J.; Yin L.; Zhou W.; Lu T.; Chen Y.; identification of covalent binding sites targeting cryteines based on computational approaches Mol. Pharma,2016,13(9) 3106-3118.
13. Grant M.A. Protein structure prediction in structure-based ligand design and virtual screening. Comb. Chem. High Throughput Screen. 2009;12:940-960. doi: 10.2174/138620709789824718.
14. Pau L.; Gardner, C.L.; Pugliai, F.A.; honzalez, teleonomic acid binding pocket in prb from liberibacterasiaticus. Front microbiol.,2017,8,1591.
15. Suchitra Ajjarapu;Computer-Aided Drug Design (CADD)- Definition, Types, Uses, Examples, SoftwaresFebruary 25, 2022 https://thebiologynotes.com/computer-aided-drug-design-cadd/.
16. Tardif JC, L’allierPL, Ibrahim R, Gr?goire JC, Nozza A, Cossette M, Kouz S, Lavoie MA, Paquin J, Brotz TM, Taub R, Pressacco J. Treatment With 5-Lipoxygenase Inhibitor VIA-2291 (Atreleuton) In Patients With Recent Acute Coronary Syndrome. Circ. Cardiovasc. Imaging. 2010;3(3):298-307
17. Janvi Gajipara1 And John J Georrge; TOOLS FOR LIGAND BASED DRUG DISCOVERY ; Recent Trends In Science And Technology-2018 (February 11, 2018)

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Pharmacovigilance – Indian View of 2023

Yesenia Harris

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Pharmacovigilance is the process of monitoring and assessing the safety of medications after they have been approved and are on the market. This includes identifying and assessing potential side effects, monitoring the use of medications in real-world settings, and taking appropriate actions to minimize risks and improve patient safety.

Key components of pharmacovigilance include:Adverse event reporting: This involves collecting and analyzing reports of adverse events (such as side effects) associated with the use of a medication.Risk management: This involves identifying and assessing potential risks associated with a medication and taking appropriate actions to minimize those risks, such as updating labeling or warning patients and healthcare providers about potential risks.Drug utilization review: This involves monitoring the use of medications in real-world settings to identify potential safety issues, such as inappropriate prescribing or overuse.Benefit-risk assessment: This involves evaluating the overall benefits and risks of a medication to ensure that its benefits continue to outweigh its risks.

Pharmacovigilance is important to ensure the safety of medications, and it is a continuous process that requires ongoing monitoring, assessment, and action to minimize risks and improve patient safety.

Role of Pharmacists in Pharmacovigilance
Pharmacists play an important role in pharmacovigilance, which is the process of monitoring and evaluating the safety of medications. They are responsible for identifying and reporting adverse drug reactions (ADRs) and other safety concerns related to medications. Pharmacists also help to educate patients and healthcare providers about the safe use of medications, including potential side effects and interactions. Additionally, pharmacists may also be involved in reviewing and analyzing data on ADRs and helping to develop strategies to prevent them in the future. Overall, pharmacists are key members of the healthcare team and play a vital role in ensuring the safe and effective use of medications.

Challenges for Pharmacovigilance in India
Pharmacovigilance in India faces several challenges, including a lack of awareness and understanding of the concept among healthcare professionals and the general public, inadequate reporting of adverse drug reactions, and limited resources for monitoring and analyzing reported reactions. Additionally, there is a lack of a centralized reporting system, which makes it difficult to track and investigate adverse reactions. There is also a lack of standardization of the data collected, which makes it difficult to compare and analyze reactions across different regions and populations. Furthermore, the lack of resources and personnel dedicated to pharmacovigilance in India also hinder the ability to effectively monitor and investigate adverse reactions to drugs.

There are several challenges for pharmacovigilance in India, including:Limited resources and infrastructure: The Indian pharmacovigilance system is underfunded and understaffed, making it difficult to effectively monitor and report adverse drug reactions.Lack of awareness and education: Many healthcare professionals and patients in India are not aware of the importance of pharmacovigilance and may not report adverse drug reactions.Limited regulations and enforcement: The regulatory framework for pharmacovigilance in India is not as robust as in developed countries, and enforcement is often weak.Limited access to information: The Indian pharmacovigilance system relies heavily on spontaneous reporting, and there is limited access to information from other sources such as clinical trials and post-marketing surveillance.Quality of data: The quality of data submitted to the Indian pharmacovigilance system is often poor and may not be sufficient for meaningful analysis.Limited capacity for analysis and risk management: The Indian pharmacovigilance system has limited capacity for analyzing and managing risks associated with adverse drug reactions.

What is future of pharmacovigilance in India
The future of pharmacovigilance in India is likely to see continued growth and development. The Indian government has made significant efforts in recent years to strengthen the country’s pharmacovigilance system and regulations. This includes the implementation of new guidelines for reporting and monitoring adverse drug reactions, as well as the establishment of a national pharmacovigilance center. Additionally, the Indian pharmaceutical industry is expected to continue to grow, which will likely lead to increased pharmacovigilance activities.

The future of pharmacovigilance in India is expected to continue growing as the country’s healthcare system and pharmaceutical industry expand. The Indian government has implemented several regulations and guidelines to strengthen pharmacovigilance in the country, such as the establishment of the Central Drugs Standard Control Organization (CDSCO) and the National Pharmacovigilance Programme (NPVP). Additionally, the government is encouraging the use of technology, such as electronic reporting systems, to improve the efficiency and effectiveness of pharmacovigilance. As the Indian population continues to grow and the demand for healthcare and pharmaceuticals increases, it is likely that the importance of pharmacovigilance will also continue to grow in India.

The Indian government has also taken steps to improve the training and education of healthcare professionals in pharmacovigilance. This includes the development of guidelines for the reporting and management of adverse drug reactions, as well as the establishment of training programs for healthcare professionals.

Furthermore, the Indian government has also made efforts to increase public awareness about pharmacovigilance and the importance of reporting adverse drug reactions. This includes campaigns to educate patients and healthcare professionals about the importance of reporting adverse reactions, as well as the launch of a national helpline for the reporting of adverse reactions.

In 2017, the Indian government made it mandatory for all pharmaceutical companies to report ADRs to the NPVP. In addition, the government established the Indian Pharmacopoeia Commission (IPC) to establish standards for the quality of drugs in the country.

The NPVP also collaborates with the World Health Organization (WHO) to improve the pharmacovigilance system in India. In 2020, the NPVP has been designated as a WHO Collaborating Centre for Pharmacovigilance and Pharmacoepidemiology.

In recent years, the Indian government has also made efforts to improve the regulation of clinical trials in the country. In 2019, the Drugs and Cosmetics Act was amended to establish a new regulatory framework for clinical trials, which includes stricter rules for the conduct and reporting of trials.

Overall, India has made significant progress in the field of pharmacovigilance in recent years, with the establishment of a national pharmacovigilance program, the implementation of regulations for the reporting and monitoring of adverse drug reactions, and efforts to improve the training and education of healthcare professionals in pharmacovigilance.

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Kokum Butter in Cosmetics

Yesenia Harris

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Vinay Kumar Singh.
Head-Formulation
Kumar Organic Products Research Centre Pvt. Ltd.,
Bengaluru
Email : formulation_krc@kopresearchcentre.net

Plant-derived oils and butters are among the most popular ingredients for a variety of personal care products including Cream, lotions, Lipstick, lip balm, Make- ups and hair treatments.

The mere mention of kokum brings to mind the small, round, red to purple-hued fruits, relished in curries for their sour flavour, besides being sipped on as a delightful sharbat and chilled juice. While the kokum fruits, scientifically termed Garcinia indica and native to the Western Ghats region of Maharashtra, Karnataka, Goa, are extensively used in cooking traditional Indian dishes, the flattened, black, pliable seeds within yield a rather beneficial substance too, an inherently oily element known as kokum butter and this plant-based matter derived from the kernels of kokum, a crop belonging to the same botanical family as mangosteen, confers astounding merits for glowing skin and silky hair. Kokum fruit is an inseparable part of Konkani cuisine.

Kokum butter is an oleaginous material isolated from the seeds of the kokum fruit. Each raw or ripe kokum fruit contains about 5 to 10 large black seeds, which are separated from the pulp. They are then wiped clean to remove all dirt and debris, squeezed under high pressure and subsequently processed as vegetable oil to obtain kokum butter, otherwise known as kokum oil.

Kokum butter possesses a firm texture and usually appears in shades of light grey, pale white, creamy yellow. It is in fact a hard edible butter at room temperature, used as a substitute for cocoa butter in preparing confectioneries, as well as for topical use on skin and hair. Nevertheless, owing to its ease of melting upon touching the skin and umpteen valuable phytochemical compounds, kokum butter is widely incorporated into commercial personal care products.

Kokum Butter is high in essential saturated fatty acids like Omega 6 and Omega 3 which prevent regularly skin damage by making Skin Healthier and Balancing Moisture in the skin.
Unrefined Kokum butter provides the skin with extreme hydration and moisturization. It consists of a high Anti-inflammatory property that helps to reduce inflamed skin and issues like allergies, infections, rashes, and irritation. Kokum Butter is also enriched with Antioxidants and Vitamin E which helps to immune the skin against free radicals and toxins.

The moisturizing agent in the Raw and Pure Kokum butter prevents the skin from dehydrating and promotes skin cell regeneration. It also combats the visible signs of aging by preventing issues like decoloration, fine lines, and wrinkles. Kokum butter not only Benefits Skin Health but can also boost the Health of the Immune System and cell functioning.

Whipped Kokum Butter is proven to be beneficial for hair by promoting Hair Growth. It locks the moisture deep into the skin and nourishes the itchy & dry scalp and also reduces Dandruff & Hair Fall. Organic and unrefined Kokum butter is an ideal ingredient for lip balms, lip gloss, lotions, moisturizers, and ointments because of the presence of rich emollients in it.

Kokum butter is Non-comedogenic so it does not clog pores or cause acne. You can also use whipped Kokum butter for eczema and acne scars. When it is applied on a regular basis the skin will automatically soften and restore its elasticity. The shelf life of Kokum butter is quite long as compared to any other body butter because of the high oxidative stability.
The advantages of kokum butter include :
o No scent. Kokum butter naturally has no scent. Cocoa, coconut, and shea butters are well known for their distinctive fragrances. Forperson sensitive it fragrance, kokum butter may be a better option.
o Easily absorbed. Unlike most other plant butters, kokum butter is remarkably light, absorbed quickly and easily, and not greasy.
o Doesn’t clog pores. U-nlike shea butter, kokum butter won’t clog your pores or cause acne.
o Very structurally stable. Kokum butter is one of the most structurally and chemically stable plant butters available. It works great as a natural emulsifier or hardening agent for homemade cosmetics.

Benefits of Kokum Butter for Skin and Hair
Kokum seeds contain vitamin E and many powerful antioxidants. These nutrients strengthen the immune system and cell function, and help reverse the damage caused by free radicals.1. Skin
It’s no surprise that kokum butter is the ingredient makeup artists often use. This ingredient is loved for its highly nourishing properties. It helps create a smooth texture on the skin. This omega-rich butter can be applied directly on lips, hands, knees, and elbows. Following are benefits Kokum butter has for skin.
o Improves skin cell regeneration
This ingredient is also known for regenerating skin cells. At the same time, it effectively reverses skin cell degeneration, and thus prevents damage even before it occurs. It is a natural emollient, and can thus go to the deepest layers of the epidermis. This helps to heal wounds and chapped skin.
o Reduces visible signs of aging
It is also believed that this buttery ingredient helps address and prevent multiple skin aging signs. These include hyperpigmentation, increased fragility, thinning of the skin, reduced elasticity, dehydration, and dark spots. It also helps create a protective moisture barrier against pollution and seasonal changes.
o Deeply Moisturizes dry skin
It is best known for its ability to be an intense moisturizing agent. It can be used to restore the skin’s moisture content, including your lips, feet, hands, etc. Unlike other kinds of butter used in skin care, kokum oil or butter is not sticky.
It is lightweight, gets easily absorbed, and leaves no signs of greasiness after application. This is why most skincare experts advise it for people with sensitive skin.
o Treats acne
This butter has a strong moisturizing ability and is considered non-comedogenic, which means it does not clog pores. It restores moisture content to dry or irritated skin.
o Reduces skin inflammation
It can help ward off signs of inflammation on the skin regardless of the cause. It also prevents the risk of future inflammation by safeguarding the skin against skin aggressors.
o Best for sensitive skin
Known for its healing and anti-inflammatory properties, this naturally-occurring emollient makes the best alternative for sensitive skin. If your skin is sensitive to most skin care products, this ingredient is gentler and easily tolerated by the skin. So, even people with sensitive skin can use kokum butter for skin lightening and brightening.

2. Hair
This nourishing butter is equally helpful in hair care too. Below are some of the most important ways in which this natural butter helps hair.
o Anti-dandruff solution
There are common hair care issues like itchy or flaky scalp, hair loss, and other concerns. Its anti-inflammatory properties help reduce infection and inflammation on the scalp.
It also keeps the scalp moisturized. This is crucial while preventing dandruff and seasonal dryness, and thus creating a healthy scalp environment.
o Natural hair conditioner
Kokum butter is saturated with omega-3 fatty acids and other vital moisturizing agents that give the hair the right amount of hydration. It moisturizes the scalp and prevents oxidative stress in the hair cuticles.
o Stimulates hair growth
This butter is popularly known to stimulate hair growth. This natural plant butter is a perfect remedy for thick and long hair. It is rich in antioxidants, fatty acids, and lauric acid content. The fatty acids nourish the scalp and form a protective barrier against environmental or seasonal changes.

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Source: pharmatutor.org

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Pharma

Lack of Medicines in Greece and the Solution of Generics

Yesenia Harris

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The problem of drug shortages is taking on alarming proportions worldwide. In Greece at the moment, antibiotics, antipyretics and inhaled medicines are in main shortage, but Greek pharmacists noted that more than 200 drugs for almost the entire spectrum of diseases were in permanent shortage.

The Causes
It is noted that 60-80% of the products used in medicines are produced in China and India. Their production has fallen by 60% due to a new outbreak of the coronavirus in China resulting in limited exports. Another reason is the war in Ukraine delaying distributions main reason for drug shortages. Unfortunately, Europe has chosen to depend to a significant extent on China and India in the field of pharmaceutical raw materials. According to high-ranking officials in the sector, the objective of the European Commission is to “move” production from Asian countries to Europe, in order to facilitate the supply of medicines within the continent. Of course, in this particular period of time, with inflation soaring, and the energy crisis exponentially increasing the cost of drug production, a feeling of insecurity is being cultivated as to whether Europe will be able to respond to a new wave of shortages of even more important drugs.

Another cause according to pharmacists, is the ever-increasing parallel exports. That’s because certain medicines can give up to 15 times more profit to the pharmaceutical warehouse if it is available abroad than in a pharmacy in the Greek market. The National Pharmaceutical Organization of Greece (EOF) decided to put a brake on the parallel exports of a large category of medicines for which there are shortages in the Greek market. In addition to the previous measures, the Greek Minister of Health asked the warehouses to immediately declare the stocks they have of the elliptical drugs and they must make them available without delay to the Greek market.

Nevertheless, reports claim that of the drugs whose export was banned on November 22, 80% of them have identical generics, so there is no public health issue.

?he solution that consumers refuse due to unawareness
Generic medications are a class of medication that, while lacking the brand name, are identical to brand-name products in terms of dosage, strength, administration method, quality, and intended use. They are frequently accessible after the original drug’s patent has expired, enabling other pharmaceutical companies to create and market less expensive versions of the drug. The primary motivation behind the development of generic medications is to lower the cost of healthcare. The pharmaceutical business that created the new medicine received a patent for it. This patent grants the corporation the sole right to market the medication for a specified period of time. Because there are no other options during this time, the manufacturer can charge a premium price for the drug. When the patent on the drug expires, other businesses may begin making and marketing generic versions of it. Because the firms making these generic versions do not have to invest in the research and development that went into manufacturing the original drug, they are often far less expensive than their brand-name counterparts. Drugs sold under generic names are as secure and efficient. They function similarly to the original medication and have the same active components. Generic medications must go through extensive testing to guarantee that they are identical to the brand-name medication in terms of quality, safety, and effectiveness. While using generic medications can help reduce the cost of healthcare, there are some instances where the brand-name choice may be chosen.

For instance, if a patient has previously experienced a negative reaction to a generic version of a medication, their doctor may advise that they take the brand-name version to prevent any prospective problems. Finally, we understand that if consumers are made aware of what generics are and of the controls that must be submitted to be released on the market, in periods of shortages we will not face such a serious issue in treatments.

Georgios-Marios Bolmpasis
MPharm Student University of Athens
Vice President of Pharmacy Students Association(Athens)
Member of European Pharmaceutical Students Association
Member of Greek Pharmaceutical Students Federation

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Source Here: pharmatutor.org

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