S M Esther Rubavathy

7PUBLICATIONS
12CO-AUTHORS
Process control and simulationMedical devicesCheminformatics and quantitative structure-activity relationshipsMolecular targets
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Publications (7)

|Mar 10, 2025
Molecular mechanism behind the cholinium-taurate ionic liquid in stabilisation of HDAC2 for alcohol use disorders: insights from DFT and MD simulations.

S M Esther Rubavathy, Gopal Hema, Muthuramalingam Prakash

|Dec 16, 2024
Computational insights in repurposing a cardiovascular drug for Alzheimer's disease: the role of aromatic amino acids in stabilizing the drug through π-π stacking interaction.

S M Esther Rubavathy, M Prakash

|Apr 27, 2024
Dual Anti-Inflammatory and Anticancer Activity of Novel 1,5-Diaryl Pyrazole Derivatives: Molecular Modeling, Synthesis, In Vitro Activity, and Dynamics Study.

Priya Deivasigamani, S M Esther Rubavathy, Narayanan Jayasankar

|Mar 08, 2024
Exploration of novel hydroxamate zinc binding group inhibitors against HDAC-1-3 enzymes by AI-based virtual screening: atomistic insights from steered molecular dynamics.

S M Esther Rubavathy, V Rajapandian, M Prakash

|May 08, 2023
Identification of indole-based natural compounds as inhibitors of PARP-1 against triple-negative breast cancer: a computational study.

Sridhar Priyankha, Varatharaj Rajapandian, Kandhan Palanisamy

|Nov 12, 2022
Discovery of novel HDAC8 inhibitors from natural compounds by in silico high throughput screening.

S M Esther Rubavathy, Kandhan Palanisamy, S Priyankha

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Frequent Collaborators

7 joint publications

Muthuramalingam Prakash

3 joint publications

Kandhan Palanisamy

3 joint publications

Chelliah Selvam

2 joint publications

Sridhar Priyankha