Manikandan Jayaraman

Karaikkudi, TN, India

Last Updated: 09/26/2026

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Found 19 publications

Advancing digital mental healthcare: the role of artificial intelligence and natural language processing in powering medical chatbots for future healthcare interventions.

Advancing digital mental healthcare: the role of artificial intelligence and natural language processing in powering medical chatbots for future healthcare interventions.

Journal: Expert review of medical devices

Published: March 20, 2026

Computational identification of marine-derived therapeutic leads targeting the acyl-homoserine-lactone synthase (AHL) in drug-resistant Acinetobacter baumannii (Strain AYE).

Computational identification of marine-derived therapeutic leads targeting the acyl-homoserine-lactone synthase (AHL) in drug-resistant Acinetobacter baumannii (Strain AYE).

Journal: Molecular diversity

Published: March 12, 2026

Binding modes and interaction mechanism of bisphenol A and its analogs in constitutive androstane receptor.

Binding modes and interaction mechanism of bisphenol A and its analogs in constitutive androstane receptor.

Journal: Scientific reports

Published: September 10, 2025

Machine learning guided structural dynamics identifies translation elongation factor 1 (EEF1A1) as an immunological biomarker and marine natural products as therapeutic leads for rheumatoid arthritis with major depressive disorder.

Machine learning guided structural dynamics identifies translation elongation factor 1 (EEF1A1) as an immunological biomarker and marine natural products as therapeutic leads for rheumatoid arthritis with major depressive disorder.

Journal: Computers in biology and medicine

Published: August 23, 2025

Computational design and structural insights into quinazoline-based lead molecules for targeting PARP10 in cancer therapy.

Computational design and structural insights into quinazoline-based lead molecules for targeting PARP10 in cancer therapy.

Journal: Journal of molecular graphics & modelling

Published: January 30, 2025

Designing novel potent oxindole derivatives as VEGFR2 inhibitors for cancer therapy: Computational insights from molecular docking, drug-likeness, DFT, and structural dynamics studies.

Designing novel potent oxindole derivatives as VEGFR2 inhibitors for cancer therapy: Computational insights from molecular docking, drug-likeness, DFT, and structural dynamics studies.

Journal: Journal of molecular graphics & modelling

Published: December 02, 2024

Exploring Marine natural products as potential Quorum sensing inhibitors by targeting the PqsR in Pseudomonas aeruginosa: Virtual screening assisted structural dynamics study.

Exploring Marine natural products as potential Quorum sensing inhibitors by targeting the PqsR in Pseudomonas aeruginosa: Virtual screening assisted structural dynamics study.

Journal: PloS one

Published: October 31, 2024

Harnessing marine natural products to inhibit PAD4 triple mutant: A structure-based virtual screening approach for rheumatoid arthritis therapy.

Harnessing marine natural products to inhibit PAD4 triple mutant: A structure-based virtual screening approach for rheumatoid arthritis therapy.

Journal: Archives of biochemistry and biophysics

Published: July 11, 2024

Biochemical and biophysical characterization of biosynthetic arginine decarboxylase from Thermus thermophilus.

Biochemical and biophysical characterization of biosynthetic arginine decarboxylase from Thermus thermophilus.

Journal: Journal of biomolecular structure & dynamics

Published: February 12, 2024

Computational insights into potential marine natural products as selective inhibitors of Mycobacterium tuberculosis InhA: A structure-based virtual screening study.

Computational insights into potential marine natural products as selective inhibitors of Mycobacterium tuberculosis InhA: A structure-based virtual screening study.

Journal: Computational biology and chemistry

Published: October 18, 2023

Computational identification and molecular dynamics simulation of potential circularRNA derived peptide from gene expression profile of Rheumatoid arthritis, Alzheimer's disease, and Atrial fibrillation.

Computational identification and molecular dynamics simulation of potential circularRNA derived peptide from gene expression profile of Rheumatoid arthritis, Alzheimer's disease, and Atrial fibrillation.

Journal: Journal of biomolecular structure & dynamics

Published: August 01, 2023

Computational identification and analysis of deleterious non-synonymous single nucleotide polymorphisms (nsSNPs) in the human POR gene: a structural and functional impact.

Computational identification and analysis of deleterious non-synonymous single nucleotide polymorphisms (nsSNPs) in the human POR gene: a structural and functional impact.

Journal: Journal of biomolecular structure & dynamics

Published: May 13, 2023

Showing 1-12 of 19

Last Updated: 09/26/2026