In silico identification of phytochemical inhibitors for multidrug-resistant tuberculosis based on novel pharmacophore generation and molecular dynamics simulation studies

In silico identification of phytochemical inhibitors for multidrug-resistant tuberculosis based on novel pharmacophore generation and molecular dynamics simulation studies

Abstract Background Multidrug-resistant tuberculosis (particularly resistant to pyrazinoic acid) is a life-threatening chronic pulmonary disease. Running a marketed regime specifically targets the ribosomal protein subunit-1 (RpsA) and stops trans-translation in the non-mutant bacterium, responsible...

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Bibliographic Details
Main Author:	Bader S. Alotaibi
Format:	Article
Language:	English
Published:	BMC 2024-04-01
Series:	BMC Chemistry
Subjects:	NPASS SANCDB Virtual screening Molecular dynamics simulation RpsA
Online Access:	https://doi.org/10.1186/s13065-024-01182-7

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