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Drug Discovery: Overview

Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...

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A Fluorescence-based Lymphocyte Assay Suitable for High-throughput Screening of Small Molecules

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Virtual Screening of Natural Products Database.

José Alixandre de Sousa Luis¹, Renata Priscila Costa Barros², Natália Ferreira de Sousa²

¹Education and Health Center, Federal University of Campina Grande, Cuite, Paraiba, Brazil.

Mini Reviews in Medicinal Chemistry

|August 4, 2020

Summary

This review highlights natural product databases and virtual screening methods for drug discovery. It identifies anticancer, antibacterial, and anti-inflammatory compounds as promising drug candidates from extensive research.

Keywords:

Natural products drug candidates.ligand-based natural products databases structure-based virtual screening

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Area of Science:

Pharmacology
Computational Chemistry
Medicinal Chemistry

Background:

Natural products are a rich source of bioactive compounds.
Databases catalog natural products for drug discovery.
Virtual screening accelerates the identification of potential drug candidates.

Purpose of the Study:

To review databases of natural products for bioactive compounds.
To describe virtual screening strategies for drug discovery.
To present findings from a literature search on virtual screening of natural products.

Main Methods:

Literature search in Web of Science (2003-2018) using "Virtual screening of natural products databases".
Abstract evaluation based on article type, virtual screening of natural products, and identification of drug candidates.
Selection of 104 relevant works from 230 initial articles.

Main Results:

Identified 104 relevant studies on virtual screening of natural products.
Drug candidates were categorized into 15 classes.
Anticancer, antibacterial, and anti-inflammatory compounds were the most abundant hits.

Conclusions:

Virtual screening of natural product databases is effective for identifying potential drug candidates.
This review provides an overview of methodologies to inspire future drug discovery research.
Further research using these approaches can improve quality of life through new therapeutics.