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Related Concept Videos

Drug Discovery: Overview01:26

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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Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery
06:26

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Published on: May 16, 2021

Computational techniques in fragment based drug discovery.

Hugo O Villar1, Mark R Hansen

  • 1ALTORIS, Inc. 7660-H. Fay Ave 347, La Jolla, CA 92037, USA. hugo@altoris.co

Current Topics in Medicinal Chemistry
|September 28, 2007
PubMed
Summary
This summary is machine-generated.

Fragment-based drug discovery (FBDD) is a valuable method for identifying drug leads and optimizing candidates. This review highlights FBDD

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Area of Science:

  • Medicinal Chemistry
  • Drug Discovery
  • Computational Chemistry

Background:

  • Fragment-based drug discovery (FBDD) is increasingly recognized as a complementary approach to traditional drug discovery methods.
  • Established techniques for lead identification and drug candidate optimization exist, but FBDD offers unique advantages.
  • The integration of computational methods is crucial for the success of FBDD.

Purpose of the Study:

  • To review the impact and expanding applications of fragment-based drug discovery.
  • To illustrate how fragment-based analysis is being applied to novel areas within drug discovery.
  • To discuss the role of computational tools in FBDD and related chemical library characterization.

Main Methods:

  • Review of existing literature and case studies on fragment-based drug discovery.
  • Summary of traditional computational methods applied to FBDD for lead discovery, optimization, and risk assessment.
  • Discussion of fragment analysis techniques for bioisosteric replacement and chemical library diversity assessment.

Main Results:

  • Fragment-based drug discovery has demonstrated significant impact across various drug discovery programs.
  • New arenas and applications for fragment-based analysis are emerging, expanding its utility.
  • Computational methods and fragment analysis provide valuable insights for lead optimization and library design.

Conclusions:

  • Fragment-based drug discovery is a powerful and versatile strategy in modern drug development.
  • The application of fragment analysis extends beyond lead identification to areas like bioisosterism and library characterization.
  • Continued development and integration of computational approaches will further enhance FBDD.