A computational study of Di-substituted 1,2,3-triazole derivatives as potential drug candidates against Mycobacterium tuberculosis: 3D-QSAR, molecular docking, molecular dynamics, and ADMETox

Author:

Koubi Yassine1,Moukhliss Youness1,Hajji Halima1,Alaqarbeh Marwa2ORCID,Ajana Mohammed Aziz1,Maghat Hamid1,Lakhlifi Tahar1,Bouachrine Mohammed13

Affiliation:

1. Molecular Chemistry and Natural Substances Laboratory (MCNSL), Department of Chemistry, Faculty of Science, University of Moulay Ismail, Meknes, Morocco

2. National Agricultural Research Center, Water and Soil Research Directorate Al-Baqa 19381, Jordan

3. EST Khenifra, Sultan Moulay Slimane University, Beni Mellal, Morocco

Abstract

Multidrug-resistant TB (MDR TB) strains have become a severe issue, motivating researchers to find new TB drugs effective against these MDR strains.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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