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S. M. Esther Rubavathy

Observed name: Rubavathy, S. M. Esther
ORCID: 0000-0001-8910-1833
Observed ORCID: 0000-0001-8910-1833
OpenAlex ID: A5019554555
Dual Anti-Inflammatory and Anticancer Activity of Novel 1,5-Diaryl Pyrazole Derivatives: Molecular Modeling, Synthesis, In Vitro Activity, and Dynamics Study
2024 · Priya Deivasigamani, S. M. Esther Rubavathy, et al. · Biomedicines · 25
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Antiviral activities of natural compounds and ionic liquids to inhibit the Mpro of SARS-CoV-2: a computational approach
2022 · Kandhan Palanisamy, S. M. Esther Rubavathy, et al. · RSC Advances · 21
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Identification of indole-based natural compounds as inhibitors of PARP-1 against triple-negative breast cancer: a computational study
2023 · Sridhar Priyankha, Varatharaj Rajapandian, et al. · Journal of Biomolecular Structure and Dynamics · 11
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
2024 · S. M. Esther Rubavathy, M. Prakash · Physical Chemistry Chemical Physics · 6
Effect of mixtures of ionic liquids and water on the structure and stability of the insulin dimer: a combined DFT and MD simulation study
2023 · N. Giri Lakshman, S. M. Esther Rubavathy, et al. · New Journal of Chemistry · 5
Discovery of novel HDAC8 inhibitors from natural compounds by in silico high throughput screening
2022 · S. M. Esther Rubavathy, Kandhan Palanisamy, et al. · Journal of Biomolecular Structure and Dynamics · 5
Exploration of novel hydroxamate zinc binding group inhibitors against HDAC-1-3 enzymes by AI-based virtual screening: atomistic insights from steered molecular dynamics
2024 · S. M. Esther Rubavathy, V. Rajapandian, et al. · Journal of Biomolecular Structure and Dynamics · 4
Molecular mechanism behind the cholinium-taurate ionic liquid in stabilisation of HDAC2 for alcohol use disorders: insights from DFT and MD simulations
2025 · S. M. Esther Rubavathy, Gopal Hema, et al. · Physical Chemistry Chemical Physics · 1
Third Generation Ionic Liquids: New Forms of Active Pharmaceutical Ingredients
2025 · S. Priyankha, S. M. Esther Rubavathy, et al. · BENTHAM SCIENCE PUBLISHERS eBooks
Uncovering Potential Inhibitors of Mycobacterium Tuberculosis Eis Protein: Insights from Virtual Screening and Molecular Dynamics
2025 · R. Thilagavathi, M. Gowrisankar, et al. · ChemistrySelect
The Inhibition Activity of Natural Products Against Host and Viral Proteins Of SARS-Cov-2: Computational Perspective
2022 · Kandhan Palanisamy, S. M. Esther Rubavathy, et al. · ECS Transactions
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Works count: 15
Citation count: 78
H-index: 5
I10-index: 3
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