Anjali Murmu

Bilaspur, HP, India

Last Updated: 09/26/2026

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Found 18 publications

Acetylcholinesterase inhibitory activity of phthalimide derivatives as anti-alzheimer agents: QSAR, ARKA, Hybrid ARKA-RASAR, virtual screening, molecular docking and ADMET studies.

Acetylcholinesterase inhibitory activity of phthalimide derivatives as anti-alzheimer agents: QSAR, ARKA, Hybrid ARKA-RASAR, virtual screening, molecular docking and ADMET studies.

Journal: Molecular diversity

Published: March 30, 2026

Computational exploration and discovery of dual EGFR-CDK2 kinase inhibitors: AI-ML powered bioisosteric design, 3D QSAR, docking, DFT and ADMET analysis of novel phthalimide derivatives.

Computational exploration and discovery of dual EGFR-CDK2 kinase inhibitors: AI-ML powered bioisosteric design, 3D QSAR, docking, DFT and ADMET analysis of novel phthalimide derivatives.

Journal: SAR and QSAR in environmental research

Published: March 02, 2026

Structural insights into TNF-α inhibition by bioactive compounds found in plants of North East India: in vitro validation and in silico investigations using QSAR, molecular docking, and dynamics simulations.

Structural insights into TNF-α inhibition by bioactive compounds found in plants of North East India: in vitro validation and in silico investigations using QSAR, molecular docking, and dynamics simulations.

Journal: Molecular diversity

Published: January 31, 2026

A comprehensive review on azole-based hydroxamic acid analogs as histone deacetylases (HDACs) inhibitors.

A comprehensive review on azole-based hydroxamic acid analogs as histone deacetylases (HDACs) inhibitors.

Journal: Future medicinal chemistry

Published: December 22, 2025

A computational-based search of natural product derived multi-target ligands for the management of Alzheimer's and Parkinson's disease using structure-based pharmacophore modelling, virtual screening, MD docking, free energy analysis, ADMET profiling and DFT studies.

A computational-based search of natural product derived multi-target ligands for the management of Alzheimer's and Parkinson's disease using structure-based pharmacophore modelling, virtual screening, MD docking, free energy analysis, ADMET profiling and DFT studies.

Journal: SAR and QSAR in environmental research

Published: November 19, 2025

Soil degradation toxicity potential (DT50) of VPs followed by biodegradability and leaching: Exploration of possible aquatic and terrestrial component toxicity through QSAR, q-RASAR, and comprehensive screening.

Soil degradation toxicity potential (DT50) of VPs followed by biodegradability and leaching: Exploration of possible aquatic and terrestrial component toxicity through QSAR, q-RASAR, and comprehensive screening.

Journal: Environmental science and pollution research international

Published: November 06, 2025

Therapeutic potential of Oxalis corniculata in circumventing Alzheimer's disease through in vitro and in silico investigations.

Therapeutic potential of Oxalis corniculata in circumventing Alzheimer's disease through in vitro and in silico investigations.

Journal: Journal of ethnopharmacology

Published: June 26, 2025

Discovery of novel 1,3,4-oxadiazole derivatives as anticancer agents targeting thymidine phosphorylase: pharmacophore modelling, virtual screening, molecular docking, ADMET and DFT analysis.

Discovery of novel 1,3,4-oxadiazole derivatives as anticancer agents targeting thymidine phosphorylase: pharmacophore modelling, virtual screening, molecular docking, ADMET and DFT analysis.

Journal: SAR and QSAR in environmental research

Published: June 06, 2025

1,3,4-Thiadiazole Derivatives as VEGFR-2 Inhibitors and Its Molecular Insight for Cancer Therapy.

1,3,4-Thiadiazole Derivatives as VEGFR-2 Inhibitors and Its Molecular Insight for Cancer Therapy.

Journal: Chemistry & biodiversity

Published: April 25, 2025

Discovery of newer 1,3,4-Oxadiazole clubbed Isoindoline-1,3-dione derivatives as potential anticancer agents: Design, machine learning, synthesis, molecular docking, ADMET, DFT and MD simulation.

Discovery of newer 1,3,4-Oxadiazole clubbed Isoindoline-1,3-dione derivatives as potential anticancer agents: Design, machine learning, synthesis, molecular docking, ADMET, DFT and MD simulation.

Journal: Computational biology and chemistry

Published: February 12, 2025

Multilayered screening for multi-targeted anti-Alzheimer's and anti-Parkinson's agents through structure-based pharmacophore modelling, MCDM, docking, molecular dynamics and DFT: a case study of HDAC4 inhibitors.

Multilayered screening for multi-targeted anti-Alzheimer's and anti-Parkinson's agents through structure-based pharmacophore modelling, MCDM, docking, molecular dynamics and DFT: a case study of HDAC4 inhibitors.

Journal: In silico pharmacology

Published: November 29, 2024

Exploring QSTR and q-RASTR modeling of agrochemical toxicity on cabbage for environmental safety and human health.

Exploring QSTR and q-RASTR modeling of agrochemical toxicity on cabbage for environmental safety and human health.

Journal: Environmental science and pollution research international

Published: October 04, 2024

Showing 1-12 of 18

Last Updated: 09/26/2026