Structure-Based Site of Metabolism (SOM) Prediction of Ligand for CYP3A4 Enzyme: Comparison of Glide XP and Induced Fit Docking (IFD)

por Lokwani, Deepak K., Sarkate, Aniket P., Karnik, Kshipra S., Nikalje, Anna Pratima G., Seijas, Julio A.
Publicado 2020

Ultrasound Mediated One-Pot, Three Component Synthesis, Docking and ADME Prediction of Novel 5-Amino-2-(4-chlorophenyl)-7-Substituted Phenyl-8,8a-dihydro-7H-(1,3,4)thiadiazolo(3,2-...

por Tiwari, Shailee V., Seijas, Julio A., Vazquez-Tato, M. Pilar, Sarkate, Aniket P., Lokwani, Deepak K., Nikalje, Anna Pratima G.
Publicado 2016

Microwave-Assisted Facile Synthesis, Anticancer Evaluation and Docking Study of N-((5-(Substituted methylene amino)-1,3,4-thiadiazol-2-yl)methyl) Benzamide Derivatives

por Tiwari, Shailee V., Siddiqui, Sumaiya, Seijas, Julio A., Vazquez-Tato, M. Pilar, Sarkate, Aniket P., Lokwani, Deepak K., Nikalje, Anna Pratima G.
Publicado 2017