Jayaraman Muthukumaran

Greater Noida, UP, India

Last Updated: 09/26/2026

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Found 67 publications

First structural Elucidation of Bcl-2 functional conversion induced by validated modulators using microsecond-scale molecular dynamics simulations and density functional theory.

First structural Elucidation of Bcl-2 functional conversion induced by validated modulators using microsecond-scale molecular dynamics simulations and density functional theory.

Journal: Molecular diversity

Published: December 24, 2025

Exploiting selected Mur enzyme characteristics for antibacterial drug design.

Exploiting selected Mur enzyme characteristics for antibacterial drug design.

Journal: Journal of microbiological methods

Published: November 21, 2025

Molecular basis of the interaction between novel isonicotinohydrazide drug derivatives with human serum albumin: Multispectroscopic and computational insights.

Molecular basis of the interaction between novel isonicotinohydrazide drug derivatives with human serum albumin: Multispectroscopic and computational insights.

Journal: International journal of biological macromolecules

Published: November 12, 2025

In silico and in vitro investigations of the drug-drug interaction mechanisms between fludarabine and busulfan.

In silico and in vitro investigations of the drug-drug interaction mechanisms between fludarabine and busulfan.

Journal: Frontiers in pharmacology

Published: November 11, 2025

Integrated phytochemical and computational approaches to identify candidate Bcl-2 inhibitors from Caesalpinia mimosoides: Toward translational anticancer strategies.

Integrated phytochemical and computational approaches to identify candidate Bcl-2 inhibitors from Caesalpinia mimosoides: Toward translational anticancer strategies.

Journal: Biochemical and biophysical research communications

Published: September 30, 2025

Targeting Biofilm Formation in Acinetobacter baumannii: In Silico Discovery of Novel Candidate Inhibitors for Acyl-Homoserine Lactone Synthase.

Targeting Biofilm Formation in Acinetobacter baumannii: In Silico Discovery of Novel Candidate Inhibitors for Acyl-Homoserine Lactone Synthase.

Journal: Current drug discovery technologies

Published: September 24, 2025

Targeting Mycobacterium tuberculosis: identification of potential phytochemicals from traditional plants against glucosyl-3-phosphoglycerate phosphatase (GpgP).

Targeting Mycobacterium tuberculosis: identification of potential phytochemicals from traditional plants against glucosyl-3-phosphoglycerate phosphatase (GpgP).

Journal: Journal of biomolecular structure & dynamics

Published: May 31, 2025

Systems-level exploration of Withania somnifera-derived phytochemicals against breast cancer: A network pharmacology and molecular modeling approach.

Systems-level exploration of Withania somnifera-derived phytochemicals against breast cancer: A network pharmacology and molecular modeling approach.

Journal: Computers in biology and medicine

Published: May 06, 2025

Dual inhibition of cell wall biosynthesis and iron scavenging: Novel strategy against MDR Klebsiella pneumoniae.

Dual inhibition of cell wall biosynthesis and iron scavenging: Novel strategy against MDR Klebsiella pneumoniae.

Journal: Biochemical and biophysical research communications

Published: May 01, 2025

Targeting cell wall synthesis and metabolic homeostasis in H. pylori: strategies for novel drug development.

Targeting cell wall synthesis and metabolic homeostasis in H. pylori: strategies for novel drug development.

Journal: 3 Biotech

Published: March 28, 2025

Decoding the multifunctional potential of ursolic acid: antioxidant, antiproliferative, molecular dynamics, and biodegradability evaluations of a mangrove-derived terpenoid.

Decoding the multifunctional potential of ursolic acid: antioxidant, antiproliferative, molecular dynamics, and biodegradability evaluations of a mangrove-derived terpenoid.

Journal: Journal of computer-aided molecular design

Published: January 13, 2025

Computational insights into the inhibition of cell division in Staphylococcus aureus: Towards novel therapeutics.

Computational insights into the inhibition of cell division in Staphylococcus aureus: Towards novel therapeutics.

Journal: Computational biology and chemistry

Published: November 29, 2024

Showing 1-12 of 67

Last Updated: 09/26/2026