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
| Autor: | Mhetre, Neha M., Bhatambrekar, Aniket L., Priya, D., Saravanan, Venkatesan, Kathiravan, Muthukumaradoss, Shevate, Krishna S., Rajagopal, Kalirajan, Asgaonkar, Kalyani D., Chitre, Trupti S. |
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| Zdroj: | In Chemical Physics Impact December 2024 9 |
| Databáze: | ScienceDirect |
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