Anagha S. Setlur

Bengaluru, KA, India

Last Updated: 09/26/2026

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Found 21 publications

Integrative computational approaches in the quest for novel Ebolavirus therapeutics.

Integrative computational approaches in the quest for novel Ebolavirus therapeutics.

Journal: Expert opinion on drug discovery

Published: December 23, 2025

Computational modeling and optimization of scFv-based receptors to support CAR-T design targeting CD19 for enhanced binding robustness and reduced off-target propensity.

Computational modeling and optimization of scFv-based receptors to support CAR-T design targeting CD19 for enhanced binding robustness and reduced off-target propensity.

Journal: Biochemical and biophysical research communications

Published: August 13, 2025

Computational targeting of iron uptake proteins in Covid-19 induced mucormycosis to identify inhibitors via molecular dynamics, molecular mechanics and density function theory studies.

Computational targeting of iron uptake proteins in Covid-19 induced mucormycosis to identify inhibitors via molecular dynamics, molecular mechanics and density function theory studies.

Journal: In silico pharmacology

Published: July 24, 2024

Multifaceted computational profiling of thymol and geraniol against the human proteome for bio-repellent alternatives: Toxicity predictions, degradation analysis, and quantum mechanical approaches.

Multifaceted computational profiling of thymol and geraniol against the human proteome for bio-repellent alternatives: Toxicity predictions, degradation analysis, and quantum mechanical approaches.

Journal: Acta tropica

Published: June 29, 2024

Unified Aedes aegypti Protein Resource Database (UAAPRD): An Integrated High-Throughput In Silico Platform for Comprehensive Protein Structure Modeling and Functional Target Analysis to Enhance Vector Control Strategies.

Unified Aedes aegypti Protein Resource Database (UAAPRD): An Integrated High-Throughput In Silico Platform for Comprehensive Protein Structure Modeling and Functional Target Analysis to Enhance Vector Control Strategies.

Journal: Molecular biotechnology

Published: February 29, 2024

Comprehending interaction mechanism of natural actives of Colchicum autumnale L. for rheumatoid arthritis using integrative chemoinformatic approaches.

Comprehending interaction mechanism of natural actives of Colchicum autumnale L. for rheumatoid arthritis using integrative chemoinformatic approaches.

Journal: Journal of biomolecular structure & dynamics

Published: December 20, 2023

Exploring the Role of Non-synonymous and Deleterious Variants Identified in Colorectal Cancer: A Multi-dimensional Computational Scrutiny of Exomes.

Exploring the Role of Non-synonymous and Deleterious Variants Identified in Colorectal Cancer: A Multi-dimensional Computational Scrutiny of Exomes.

Journal: Current genomics

Published: October 03, 2023

Computational molecular perspectives on novel carbazole derivative as an anti-cancer molecule against CDK1 of breast and colorectal cancers via gene expression studies, novel two-way docking strategies, molecular mechanics and dynamics.

Computational molecular perspectives on novel carbazole derivative as an anti-cancer molecule against CDK1 of breast and colorectal cancers via gene expression studies, novel two-way docking strategies, molecular mechanics and dynamics.

Journal: Computational biology and chemistry

Published: August 17, 2023

Investigating the Molecular Interactions of Quinoline Derivatives for Antibacterial Activity Against Bacillus subtilis: Computational Biology and In Vitro Study Interpretations.

Investigating the Molecular Interactions of Quinoline Derivatives for Antibacterial Activity Against Bacillus subtilis: Computational Biology and In Vitro Study Interpretations.

Journal: Molecular biotechnology

Published: June 02, 2023

Exploring the Synergistic Mechanism of AP2A2 Transcription Factor Inhibition via Molecular Modeling and Simulations as a Novel Computational Approach for Combating Breast Cancer: In Silico Interpretations.

Exploring the Synergistic Mechanism of AP2A2 Transcription Factor Inhibition via Molecular Modeling and Simulations as a Novel Computational Approach for Combating Breast Cancer: In Silico Interpretations.

Journal: Molecular biotechnology

Published: February 10, 2023

Repurposing of known drugs for COVID-19 using molecular docking and simulation analysis.

Repurposing of known drugs for COVID-19 using molecular docking and simulation analysis.

Journal: Bioinformation

Published: February 01, 2023

Deciphering the interaction mechanism of natural actives against larval proteins of Aedes aegypti to identify potential larvicides: a computational biology analysis.

Deciphering the interaction mechanism of natural actives against larval proteins of Aedes aegypti to identify potential larvicides: a computational biology analysis.

Journal: Journal of biomolecular structure & dynamics

Published: January 23, 2023

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Last Updated: 09/26/2026