Current Approaches and Strategies Applied in First-in-class Drug Discovery.

Autor: Mohammed I; Drug Design & Molecular Medicine Laboratory, Department of Genetics & Biotechnology, Osmania University, Hyderabad, 500007, Telangana, India., Sagurthi SR; Drug Design & Molecular Medicine Laboratory, Department of Genetics & Biotechnology, Osmania University, Hyderabad, 500007, Telangana, India.; Special Center for Molecular Medicine, Jawaharlal Nehru University, New Delhi, 110067, India.
Jazyk: angličtina
Zdroj: ChemMedChem [ChemMedChem] 2024 Dec 08, pp. e202400639. Date of Electronic Publication: 2024 Dec 08.
DOI: 10.1002/cmdc.202400639
Abstrakt: First-in-class drug discovery (FICDD) offers novel therapies, new biological targets and mechanisms of action (MOAs) toward targeting various diseases and provides opportunities to understand unexplored biology and to target unmet diseases. Current screening approaches followed in FICDD for discovery of hit and lead molecules can be broadly categorized and discussed under phenotypic drug discovery (PDD) and target-based drug discovery (TBDD). Each category has been further classified and described with suitable examples from the literature outlining the current trends in screening approaches applied in small molecule drug discovery (SMDD). Similarly, recent applications of functional genomics, structural biology, artificial intelligence (AI), machine learning (ML), and other such advanced approaches in FICDD have also been highlighted in the article. Further, some of the current medicinal chemistry strategies applied during discovery of hits and optimization studies such as hit-to-lead (HTL) and lead optimization (LO) have been simultaneously overviewed in this article.
(© 2024 Wiley-VCH GmbH.)
Databáze: MEDLINE
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