Combating Diseases with Computational Strategies used for Drug Design and Discovery.

Combating Diseases with Computational Strategies used for Drug Design and Discovery. Curr Top Med Chem. 2019 Jan 21;: Authors: Makhouri FR, Ghasemi JB Abstract Computer-aided drug discovery (CADD) tools have provided an effective way in the drug discovery pipeline for expediting of this long process and economizing the cost of research and development. Because of the dramatic increase in the availability of human proteins as drug targets and small molecule information due to the advances in bioinformatics, cheminformatics, genomics, proteomics, and structural information, the applicability of in silico drug discovery has been extended. Computational approaches have been used at almost all stages in the drug discovery pipeline including target identification and validation, lead discovery and optimization, and pharmacokinetic and toxicity profiles prediction. As each area covers a variety of computational methods, it is unmanageable to assess comprehensively all areas of CADD applications or every aspects of an area in one review article. However, in this article, we tried to present an overview of computational methods used in almost all the areas concerned with drug design and highlight some of the recent successes. PMID: 30663568 [PubMed - as supplied by publisher]
Source: Genomics Proteomics ... - Category: Genetics & Stem Cells Authors: Tags: Curr Top Med Chem Source Type: research