Rational design of some 1,3,4 trisubstituted pyrazole-thiazole derivatives to serve as MtInhA inhibitors using QSAR, ADMET, molecular docking, MM-GBSA, and molecular dynamics simulations approach
Titel:
Rational design of some 1,3,4 trisubstituted pyrazole-thiazole derivatives to serve as MtInhA inhibitors using QSAR, ADMET, molecular docking, MM-GBSA, and molecular dynamics simulations approach
Auteur:
Mhetre, Neha M. Bhatambrekar, Aniket L. Priya, D. Saravanan, Venkatesan Kathiravan, Muthukumaradoss Shevate, Krishna S. Rajagopal, Kalirajan Asgaonkar, Kalyani D. Chitre, Trupti S.