Debojyoti Halder

Hyderabad, TG, India

Last Updated: 09/26/2026

Save publications for later

Sign Up

Not sure about your diagnosis?

Check Your Symptoms

Found 15 publications

Epigenetic modulators as therapeutics for neurodegenerative disorders/Alzheimer's disease.

Epigenetic modulators as therapeutics for neurodegenerative disorders/Alzheimer's disease.

Journal: Methods in enzymology

Published: August 20, 2026

Molecular modeling to simulation: insights into Gaussian QSAR, molecular docking, and DFT for identification of HDAC3 inhibitors for neurocognitive vascular dementia.

Molecular modeling to simulation: insights into Gaussian QSAR, molecular docking, and DFT for identification of HDAC3 inhibitors for neurocognitive vascular dementia.

Journal: Scientific reports

Published: September 13, 2025

5-(Thiophen-2-yl)isoxazoles as novel anti-breast cancer agents targeting ERα: synthesis, in vitro biological evaluation, in silico studies, and molecular dynamics simulation.

5-(Thiophen-2-yl)isoxazoles as novel anti-breast cancer agents targeting ERα: synthesis, in vitro biological evaluation, in silico studies, and molecular dynamics simulation.

Journal: RSC medicinal chemistry

Published: April 19, 2025

PROTAC-Based HDAC Degradation: A Paradigm Shift in Targeted Epigenetic Therapies.

PROTAC-Based HDAC Degradation: A Paradigm Shift in Targeted Epigenetic Therapies.

Journal: ChemMedChem

Published: March 14, 2025

Exploring target selectivity in designing and identifying PI3Kα inhibitors for triple negative breast cancer with fragment-based and bioisosteric replacement approach.

Exploring target selectivity in designing and identifying PI3Kα inhibitors for triple negative breast cancer with fragment-based and bioisosteric replacement approach.

Journal: Scientific reports

Published: July 24, 2024

Exploring the impact of trifluoromethyl (-CF3) functional group on the anti-cancer activity of isoxazole-based molecules: design, synthesis, biological evaluation and molecular docking analysis.

Exploring the impact of trifluoromethyl (-CF3) functional group on the anti-cancer activity of isoxazole-based molecules: design, synthesis, biological evaluation and molecular docking analysis.

Journal: RSC advances

Published: April 17, 2024

A Structure-Based Design Strategy with Pyrazole-Pyridine Derivatives Targeting TNFα as Anti-Inflammatory Agents: E-Pharmacophore, Dynamic Simulation, Synthesis and In Vitro Evaluation.

A Structure-Based Design Strategy with Pyrazole-Pyridine Derivatives Targeting TNFα as Anti-Inflammatory Agents: E-Pharmacophore, Dynamic Simulation, Synthesis and In Vitro Evaluation.

Journal: Chemistry & biodiversity

Published: March 28, 2024

Computational-guided approach for identification of PI3K alpha inhibitor in the treatment of hepatocellular carcinoma by virtual screening and water map analysis.

Computational-guided approach for identification of PI3K alpha inhibitor in the treatment of hepatocellular carcinoma by virtual screening and water map analysis.

Journal: Journal of biomolecular structure & dynamics

Published: January 10, 2024

An insight into structure-activity relationship of naturally derived biological macromolecules for the treatment of Alzheimer's disease: a review.

An insight into structure-activity relationship of naturally derived biological macromolecules for the treatment of Alzheimer's disease: a review.

Journal: Journal of biomolecular structure & dynamics

Published: June 28, 2023

Identification of natural product as selective PI3Kα inhibitor against NSCLC: multi-ligand pharmacophore modeling, molecular docking, ADME, DFT, and MD simulations.

Identification of natural product as selective PI3Kα inhibitor against NSCLC: multi-ligand pharmacophore modeling, molecular docking, ADME, DFT, and MD simulations.

Journal: Molecular diversity

Published: May 03, 2023

Role of multi-targeted bioactive natural molecules and their derivatives in the treatment of Alzheimer's disease: an insight into structure-activity relationship.

Role of multi-targeted bioactive natural molecules and their derivatives in the treatment of Alzheimer's disease: an insight into structure-activity relationship.

Journal: Journal of biomolecular structure & dynamics

Published: December 29, 2022

Molecular docking and dynamics based approach for the identification of kinase inhibitors targeting PI3Kα against non-small cell lung cancer: a computational study.

Molecular docking and dynamics based approach for the identification of kinase inhibitors targeting PI3Kα against non-small cell lung cancer: a computational study.

Journal: RSC advances

Published: June 03, 2022

Showing 1-12 of 15

Last Updated: 09/26/2026