Bharath K. Chagaleti

Chennai, TN 603203, India

Last Updated: 09/26/2026

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Found 23 publications

Corrigendum to "Boron and nitrogen-doped coronene as high-performance sensors for gamma-hydroxybutyrate drug sensing: A DFT/TD-DFT study" [J. Mol. Graph. Model. 144, (2026) 109299].

Corrigendum to "Boron and nitrogen-doped coronene as high-performance sensors for gamma-hydroxybutyrate drug sensing: A DFT/TD-DFT study" [J. Mol. Graph. Model. 144, (2026) 109299].

Journal: Journal of molecular graphics & modelling

Published: August 16, 2026

Novel isoxazole-(thio-) and semicarbazone hybrids as promising antibacterial and anticancer agents: synthesis, characterization, biological evaluation, and in silico validation.

Novel isoxazole-(thio-) and semicarbazone hybrids as promising antibacterial and anticancer agents: synthesis, characterization, biological evaluation, and in silico validation.

Journal: Future medicinal chemistry

Published: June 12, 2026

Exploration of a Novel Imidazo[4,5-b]pyridine-dihydropyrimidinone hybrids as aurora kinase a inhibitors: integrated pharmacophore modelling, docking and simulation approaches.

Exploration of a Novel Imidazo[4,5-b]pyridine-dihydropyrimidinone hybrids as aurora kinase a inhibitors: integrated pharmacophore modelling, docking and simulation approaches.

Journal: Molecular diversity

Published: February 13, 2026

Synthesis, molecular modelling, and evaluation of new mono- and bis-isoxazolines as antibacterial agents: in vitro and in silico analysis.

Synthesis, molecular modelling, and evaluation of new mono- and bis-isoxazolines as antibacterial agents: in vitro and in silico analysis.

Journal: RSC advances

Published: December 22, 2025

Exploration of a Novel Thiadiazole Derivative: Design, Synthesis, Biological Evaluation (In Vitro and in Silico), and DFT Studies.

Exploration of a Novel Thiadiazole Derivative: Design, Synthesis, Biological Evaluation (In Vitro and in Silico), and DFT Studies.

Journal: Journal of fluorescence

Published: November 24, 2025

Boron and nitrogen-doped coronene as high-performance sensors for gamma-hydroxybutyrate drug sensing: A DFT/TD-DFT study.

Boron and nitrogen-doped coronene as high-performance sensors for gamma-hydroxybutyrate drug sensing: A DFT/TD-DFT study.

Journal: Journal of molecular graphics & modelling

Published: November 08, 2025

Dual inhibition of AChE and GSK-3β by flavonoids of Bergenia ciliata: Molecular dynamics insights into anti-Alzheimer's activity.

Dual inhibition of AChE and GSK-3β by flavonoids of Bergenia ciliata: Molecular dynamics insights into anti-Alzheimer's activity.

Journal: Computational biology and chemistry

Published: October 26, 2025

Totarol-1 Derivative Improves Neuronal Disability in Lead-Induced In Vivo Zebrafish Model.

Totarol-1 Derivative Improves Neuronal Disability in Lead-Induced In Vivo Zebrafish Model.

Journal: Journal of biochemical and molecular toxicology

Published: September 22, 2025

Ligand-Based Pharmacophore Modeling and Quantum Computational Approaches for the Development of hCA XII Inhibitor.

Ligand-Based Pharmacophore Modeling and Quantum Computational Approaches for the Development of hCA XII Inhibitor.

Journal: IEEE transactions on computational biology and bioinformatics

Published: August 14, 2025

Protective role of dibenzylideneacetone derivative (MBK2) against diabetic pathophysiology via PTGS2-PGE2 signaling modulation and redox homeostasis.

Protective role of dibenzylideneacetone derivative (MBK2) against diabetic pathophysiology via PTGS2-PGE2 signaling modulation and redox homeostasis.

Journal: Biochemical pharmacology

Published: August 13, 2025

Exploration of Novel Pyrazole Derivatives: Design, Synthesis, and Integrated Biological Profiling (In Vitro and In Silico) of Their Antioxidant, Antibacterial, and Antimitotic Properties.

Exploration of Novel Pyrazole Derivatives: Design, Synthesis, and Integrated Biological Profiling (In Vitro and In Silico) of Their Antioxidant, Antibacterial, and Antimitotic Properties.

Journal: Journal of fluorescence

Published: July 24, 2025

Non-invasive breast cancer detection: Leveraging the potential of BN-doped C60 heterofullerene for formaldehyde sensing using DFT theory.

Non-invasive breast cancer detection: Leveraging the potential of BN-doped C60 heterofullerene for formaldehyde sensing using DFT theory.

Journal: Computational biology and chemistry

Published: June 22, 2025

Showing 1-12 of 23

Last Updated: 09/26/2026