Cargando…
Theory and Applications of Covalent Docking in Drug Discovery: Merits and Pitfalls
The present art of drug discovery and design of new drugs is based on suicidal irreversible inhibitors. Covalent inhibition is the strategy that is used to achieve irreversible inhibition. Irreversible inhibitors interact with their targets in a time-dependent fashion, and the reaction proceeds to c...
Autores principales: | Kumalo, Hezekiel Mathambo, Bhakat, Soumendranath, Soliman, Mahmoud E. S. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272664/ https://www.ncbi.nlm.nih.gov/pubmed/25633330 http://dx.doi.org/10.3390/molecules20021984 |
Ejemplares similares
-
Chikungunya virus (CHIKV) inhibitors from natural sources: a medicinal chemistry perspective
por: Bhakat, Soumendranath, et al.
Publicado: (2015) -
Collective variable discovery in the age of machine learning: reality, hype and everything in between
por: Bhakat, Soumendranath
Publicado: (2022) -
Merits and pitfalls of conventional and covalent docking in identifying new hydroxyl aryl aldehyde like compounds as human IRE1 inhibitors
por: Carlesso, Antonio, et al.
Publicado: (2019) -
Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices
por: Oyedele, Abdul-Quddus Kehinde, et al.
Publicado: (2022) -
Mechanism of Inhibition of Hsp90 Dimerization by Gyrase B Inhibitor Coumermycin A1 (C–A1) Revealed by Molecular Dynamics Simulations and Thermodynamic Calculations
por: Cele, Favourite N., et al.
Publicado: (2016)