Anu Manhas

GJ, India

Last Updated: 09/26/2026

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Found 26 publications

Integrated synthesis, molecular mechanics, quantum mechanics and in vitro studies of triazine derivatives as anticancer compounds.

Integrated synthesis, molecular mechanics, quantum mechanics and in vitro studies of triazine derivatives as anticancer compounds.

Journal: Biochemical and biophysical research communications

Published: June 16, 2026

Β-Sitosterol-imidazolium ionic liquid conjugates: synthesis, computational evaluation, and anticancer activity against colorectal cancer cells.

Β-Sitosterol-imidazolium ionic liquid conjugates: synthesis, computational evaluation, and anticancer activity against colorectal cancer cells.

Journal: Steroids

Published: April 26, 2026

From biomass to bioactivity: Butea monosperma bark-derived carbon quantum dots for benzopyran synthesis and their in silico studies.

From biomass to bioactivity: Butea monosperma bark-derived carbon quantum dots for benzopyran synthesis and their in silico studies.

Journal: RSC advances

Published: April 03, 2026

Biomass Derived Carbon Quantum Dots for the Green Synthesis of Aryl Semicarbazones and Their In Silico Evaluation.

Biomass Derived Carbon Quantum Dots for the Green Synthesis of Aryl Semicarbazones and Their In Silico Evaluation.

Journal: Chemistry & biodiversity

Published: November 13, 2025

Rational Design of PANI Sensors for Detection of Ammonia and Ethyl-Substituted Aliphatic Amines: A Dual Experimental-Theoretical Strategy.

Rational Design of PANI Sensors for Detection of Ammonia and Ethyl-Substituted Aliphatic Amines: A Dual Experimental-Theoretical Strategy.

Journal: Precision chemistry

Published: October 13, 2025

From botanical waste to a biocatalyst: Kigelia pinnata flower-derived CQDs for triazolidine-3-thione synthesis and their in silico evaluation.

From botanical waste to a biocatalyst: Kigelia pinnata flower-derived CQDs for triazolidine-3-thione synthesis and their in silico evaluation.

Journal: Nanoscale advances

Published: August 01, 2025

AI/ML-Driven DPP-4 Inhibitor Predictor (d4p_v1) for Enhanced Type 2 Diabetes Mellitus Management: Insights Into Chemical Space, Fingerprints, and Electrostatic Potential Maps.

AI/ML-Driven DPP-4 Inhibitor Predictor (d4p_v1) for Enhanced Type 2 Diabetes Mellitus Management: Insights Into Chemical Space, Fingerprints, and Electrostatic Potential Maps.

Journal: Archiv der Pharmazie

Published: June 04, 2025

Integrating machine learning with in silico studies and Quantum Chemistry: Exploring novel compounds through multiscale screening targeting the CDK2 enzyme.

Integrating machine learning with in silico studies and Quantum Chemistry: Exploring novel compounds through multiscale screening targeting the CDK2 enzyme.

Journal: Computers in biology and medicine

Published: March 27, 2025

Systematic Investigation of CYP3A4 Using Side-by-Side Comparisons of Apo, Active Site, and Allosteric-Bound States.

Systematic Investigation of CYP3A4 Using Side-by-Side Comparisons of Apo, Active Site, and Allosteric-Bound States.

Journal: Chemical research in toxicology

Published: March 19, 2025

Anticancer efficacy of thiazole-naphthyl derivatives targeting DNA: Synthesis, crystal structure, density functional theory, molecular docking, and molecular dynamics studies.

Anticancer efficacy of thiazole-naphthyl derivatives targeting DNA: Synthesis, crystal structure, density functional theory, molecular docking, and molecular dynamics studies.

Journal: International journal of biological macromolecules

Published: August 13, 2024

Highly efficient synthesis of isoxazolones and pyrazolones using g-C3N4·OH nanocomposite with their in silico molecular docking, pharmacokinetics and simulation studies.

Highly efficient synthesis of isoxazolones and pyrazolones using g-C3N4·OH nanocomposite with their in silico molecular docking, pharmacokinetics and simulation studies.

Journal: Scientific reports

Published: April 15, 2024

Computational studies to explore inhibitors against the cyclin-dependent kinase 12/13 enzyme: an insilco pharmacophore modeling, molecular docking and dynamics approach.

Computational studies to explore inhibitors against the cyclin-dependent kinase 12/13 enzyme: an insilco pharmacophore modeling, molecular docking and dynamics approach.

Journal: Journal of biomolecular structure & dynamics

Published: October 11, 2023

Showing 1-12 of 26

Last Updated: 09/26/2026