Developing C2-Aroyl Indoles as Novel Inhibitors of IDO1 and Understanding Their Mechanism of Inhibition via Mass Spectroscopy, QM/MM Calculations and Molecular Dynamics Simulation

by Jyoti Chauhan, Srinivas R. Maddi, Kshatresh Dutta Dubey, Subhabrata Sen
Published 2021-07-01

Does Antibody Stabilize the Ligand Binding in GP120 of HIV-1 Envelope Protein? Evidence from MD Simulation

by Shalini Yadav, Vishnudatt Pandey, Rakesh Kumar Tiwari, Rajendra Prasad Ojha, Kshatresh Dutta Dubey
Published 2021-01-01

Naphthalenediimide-Linked Bisbenzimidazole Derivatives as Telomeric G‑Quadruplex-Stabilizing Ligands with Improved Anticancer Activity

by Souvik Sur, Vinod Tiwari, Devapriya Sinha, Mohammad Zahid Kamran, Kshatresh Dutta Dubey, Gopinatha Suresh Kumar, Vibha Tandon
Published 2017-03-01