J Abhithaj

Mangalore, KA 575018, India

Last Updated: 09/26/2026

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Found 11 publications

AlphaFold-driven structure-guided identification of NS5 RdRp-targeting antiviral leads against Kyasanur Forest Disease Virus.

AlphaFold-driven structure-guided identification of NS5 RdRp-targeting antiviral leads against Kyasanur Forest Disease Virus.

Journal: Journal of molecular graphics & modelling

Published: March 04, 2026

Targeting KasA: isosakuranetin derivatives as promising scaffolds for novel anti-tuberculosis agents against drug-resistant Mycobacterium tuberculosis.

Targeting KasA: isosakuranetin derivatives as promising scaffolds for novel anti-tuberculosis agents against drug-resistant Mycobacterium tuberculosis.

Journal: Frontiers in bioinformatics

Published: December 30, 2025

Discovery of 1,2-dihydro-4-hydroxy-2-oxoquinoline-3-carboxamide derivatives as potent anticancer agents: Structure-based design, synthesis, mechanistic insights, target identification, and molecular docking studies.

Discovery of 1,2-dihydro-4-hydroxy-2-oxoquinoline-3-carboxamide derivatives as potent anticancer agents: Structure-based design, synthesis, mechanistic insights, target identification, and molecular docking studies.

Journal: Bioorganic chemistry

Published: October 31, 2025

Insights into the structural and biophysical mechanisms of benzamidine-driven inhibition of human lysozyme aggregation.

Insights into the structural and biophysical mechanisms of benzamidine-driven inhibition of human lysozyme aggregation.

Journal: International journal of biological macromolecules

Published: October 15, 2024

Landscaping DNA binding potential of piperine derivatives by computational and biophysical methods.

Landscaping DNA binding potential of piperine derivatives by computational and biophysical methods.

Journal: International journal of biological macromolecules

Published: July 09, 2024

Trypsin is inhibited by phytocompounds liquiritin and terpinen-4-ol from the herb Glycyrrhiza glabra: in vitro and in silico studies.

Trypsin is inhibited by phytocompounds liquiritin and terpinen-4-ol from the herb Glycyrrhiza glabra: in vitro and in silico studies.

Journal: Journal of biomolecular structure & dynamics

Published: May 15, 2023

Lipoxygenase inhibitory synthetic derivatives of methyl gallate regulate gene expressions of COX-2 and cytokines to reduce animal model arthritis.

Lipoxygenase inhibitory synthetic derivatives of methyl gallate regulate gene expressions of COX-2 and cytokines to reduce animal model arthritis.

Journal: Scientific reports

Published: November 04, 2022

Compounds of Citrus medica and Zingiber officinale for COVID-19 inhibition: in silico evidence for cues from Ayurveda.

Compounds of Citrus medica and Zingiber officinale for COVID-19 inhibition: in silico evidence for cues from Ayurveda.

Journal: Future journal of pharmaceutical sciences

Published: September 24, 2020

Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target.

Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target.

Journal: Journal of biomolecular structure & dynamics

Published: June 24, 2020

Repurposing of Streptomyces antibiotics as adenosine deaminase inhibitors by pharmacophore modeling, docking, molecular dynamics, and in vitro studies.

Repurposing of Streptomyces antibiotics as adenosine deaminase inhibitors by pharmacophore modeling, docking, molecular dynamics, and in vitro studies.

Journal: Journal of receptor and signal transduction research

Published: January 24, 2020

Isozymes inhibited by active site blocking: versatility of calcium indifferent hesperidin binding to phospholipase A2 and its significance.

Isozymes inhibited by active site blocking: versatility of calcium indifferent hesperidin binding to phospholipase A2 and its significance.

Journal: Journal of receptor and signal transduction research

Published: May 16, 2019

Showing 1-11 of 11

Last Updated: 09/26/2026