Estari Mamidala - Publications

Pharmacophore-based identification and molecular docking of CCR5 inhibitors: insights from dynamic simulations.

Journal: Journal of receptor and signal transduction research

Published: July 10, 2026

Apigenin derivatives as promising norovirus RdRp inhibitors: insights from in silico docking and molecular dynamics studies.

Journal: Xenobiotica; the fate of foreign compounds in biological systems

Published: September 26, 2025

Inhibitory potential of α-amyrin from Calotropis procera against HIV-1 reverse transcriptase: insights from in silico and in vitro assays.

Journal: In silico pharmacology

Published: April 06, 2025

Molecular Docking and dynamic simulation analysis of flavonoid derivatives as COX-2 inhibitors.

Journal: In silico pharmacology

Published: February 01, 2025

Nephroprotective Effects of Mycophenolate Mofetil and Glibenclamide on Streptozotocin-induced Diabetic Renal Injury in Rats: An Experimental Study.

Journal: Saudi journal of kidney diseases and transplantation : an official publication of the Saudi Center for Organ Transplantation, Saudi Arabia

Published: May 10, 2024

Identification of steroidal cardenolides from Calotropis procera as novel HIV-1 PR inhibitors: A molecular docking & molecular dynamics simulation study.

Journal: The Indian journal of medical research

Published: November 02, 2023

Antidiabetic effect of flavonoid from Rumex vesicarius on alloxan induced diabetes in Male Albino Wistar rats and its validation through in silico molecular docking and dynamic simulation studies.

Journal: Biotechnology & genetic engineering reviews

Published: May 16, 2023

In silico toxicity prediction, molecular docking studies and in vitro validation of antibacterial potential of alkaloids from Eclipta alba in designing of novel antimicrobial therapeutic strategies.

Journal: Biotechnology & genetic engineering reviews

Published: December 29, 2022

In silico prediction of mozenavir as a potential drug for SARS-CoV-2 infection via binding multiple drug targets.

Journal: Saudi journal of biological sciences

Published: August 23, 2021

Rilpivirine inhibits SARS-CoV-2 protein targets: A potential multi-target drug.

Journal: Journal of infection and public health

Published: June 16, 2021

Phenolic compounds as promising drug candidates against COVID-19 - an integrated molecular docking and dynamics simulation study.

Journal: Materials today. Proceedings

Published: May 04, 2021

Evaluation of the andrographolides role and its indoleamine 2,3-dioxygenase inhibitory potential and attendant molecular mechanism against STZ-induced diabetic rats.

Journal: Saudi journal of biological sciences

Published: October 21, 2019