Vinayak S. Walhekar

Pune, MH 411038, India

Last Updated: 09/26/2026

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Found 14 publications

Biphenyl sulfonylurea Analogs as novel antiangiogenic agents: A repositioning and molecular modelling strategy.

Biphenyl sulfonylurea Analogs as novel antiangiogenic agents: A repositioning and molecular modelling strategy.

Journal: Bioorganic chemistry

Published: March 06, 2026

In silico investigation of thiazole-semicarbazide hybrids as dual GSK-3β/Tau inhibitors for Alzheimer's disease.

In silico investigation of thiazole-semicarbazide hybrids as dual GSK-3β/Tau inhibitors for Alzheimer's disease.

Journal: Scientific reports

Published: January 20, 2026

From in silico and machine learning model to validation: discovery of novel amide-functionalized imidazopyridines as PIM-1 kinase inhibitors using an integrated ligand and structure-based hopping approach.

From in silico and machine learning model to validation: discovery of novel amide-functionalized imidazopyridines as PIM-1 kinase inhibitors using an integrated ligand and structure-based hopping approach.

Journal: RSC advances

Published: January 20, 2026

In Silico Prediction, Characterization, and Pre-clinical Appraisal of the Neuroprotective Effect of the Methanolic Extract of Cassytha filiformis.

In Silico Prediction, Characterization, and Pre-clinical Appraisal of the Neuroprotective Effect of the Methanolic Extract of Cassytha filiformis.

Journal: Current neurovascular research

Published: October 15, 2025

Reconnecting new tetrahydrobenzothieno-4-pyrimidine amides as potent PIM-1 kinase inhibitors via an integrated ligand, machine learning model and structure based scaffold hopping: In vitro anti-tumor investigations.

Reconnecting new tetrahydrobenzothieno-4-pyrimidine amides as potent PIM-1 kinase inhibitors via an integrated ligand, machine learning model and structure based scaffold hopping: In vitro anti-tumor investigations.

Journal: Bioorganic chemistry

Published: August 07, 2025

Inspired by molecular dynamic simulation, exploring chemical constituents of alcoholic extract of Garuga pinnata computationally as inhibitors of GluN2B-containing NMDA receptors.

Inspired by molecular dynamic simulation, exploring chemical constituents of alcoholic extract of Garuga pinnata computationally as inhibitors of GluN2B-containing NMDA receptors.

Journal: Journal of biomolecular structure & dynamics

Published: April 01, 2025

Discovery of Novel Quinazoline Thiazole Uredio Analogs as Dual Inhibitors of GSK-3β and CK-1δ as Anti-Alzheimer's Agents: Catching Two Fish with One Net.

Discovery of Novel Quinazoline Thiazole Uredio Analogs as Dual Inhibitors of GSK-3β and CK-1δ as Anti-Alzheimer's Agents: Catching Two Fish with One Net.

Journal: Current topics in medicinal chemistry

Published: February 07, 2025

Computational and ADMET Predictions of Novel Compounds as Dual Inhibitors of BuChE and GSK-3β to Combat Alzheimer's Disease.

Computational and ADMET Predictions of Novel Compounds as Dual Inhibitors of BuChE and GSK-3β to Combat Alzheimer's Disease.

Journal: Pharmaceutics

Published: May 21, 2024

Synergistic Warriors: Design and Synthesis of Dual-Acting Schiff-Based Threaded 1,2,3-Triazole Hybrids for Potent Antineoplastic and Anti-Mycobacterial Activities.

Synergistic Warriors: Design and Synthesis of Dual-Acting Schiff-Based Threaded 1,2,3-Triazole Hybrids for Potent Antineoplastic and Anti-Mycobacterial Activities.

Journal: Medicinal chemistry (Shariqah (United Arab Emirates))

Published: April 17, 2024

Computational Investigation of Novel Compounds as Dual Inhibitors of AChE and GSK-3β for the Treatment of Alzheimer's Disease.

Computational Investigation of Novel Compounds as Dual Inhibitors of AChE and GSK-3β for the Treatment of Alzheimer's Disease.

Journal: Current topics in medicinal chemistry

Published: January 31, 2024

Machine learning facilitated structural activity relationship approach for the discovery of novel inhibitors targeting EGFR.

Machine learning facilitated structural activity relationship approach for the discovery of novel inhibitors targeting EGFR.

Journal: Journal of biomolecular structure & dynamics

Published: February 10, 2023

Computational Modelling Strategies for Exploring Triazolopyridazine PIM1 Kinase Inhibitors as Anticancer Agents.

Computational Modelling Strategies for Exploring Triazolopyridazine PIM1 Kinase Inhibitors as Anticancer Agents.

Journal: Anti-cancer agents in medicinal chemistry

Published: March 04, 2022

Showing 1-12 of 14

Last Updated: 09/26/2026