Ajay Manaithiya

Delhi, DL, India

Last Updated: 09/26/2026

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Found 19 publications

Integrated machine learning-driven QSAR modelling and systems biology approach for the identification of potential SARS-CoV-2 3CLpro inhibitors.

Integrated machine learning-driven QSAR modelling and systems biology approach for the identification of potential SARS-CoV-2 3CLpro inhibitors.

Journal: SAR and QSAR in environmental research

Published: November 19, 2025

Combating Drug Resistance in Mycobacterium Tuberculosis: A Combinatorial in Silico and Experimental Modeling Approach Toward Novel ATP Synthase Inhibitor Discovery.

Combating Drug Resistance in Mycobacterium Tuberculosis: A Combinatorial in Silico and Experimental Modeling Approach Toward Novel ATP Synthase Inhibitor Discovery.

Journal: Bioinformatics and biology insights

Published: October 18, 2025

Systematic modeling of porphyrin-based photosensitizers for inhibiting Mycobacterium tuberculosis β-Carbonic Anhydrases.

Systematic modeling of porphyrin-based photosensitizers for inhibiting Mycobacterium tuberculosis β-Carbonic Anhydrases.

Journal: Scientific reports

Published: June 18, 2025

A cheminformatics and network pharmacology approach to elucidate the mechanism of action of Mycobacterium tuberculosis γ-carbonic anhydrase inhibitors.

A cheminformatics and network pharmacology approach to elucidate the mechanism of action of Mycobacterium tuberculosis γ-carbonic anhydrase inhibitors.

Journal: Frontiers in pharmacology

Published: June 29, 2024

Physiological modeling of the metaverse of the Mycobacterium tuberculosis β-CA inhibition mechanism.

Physiological modeling of the metaverse of the Mycobacterium tuberculosis β-CA inhibition mechanism.

Journal: Computers in biology and medicine

Published: May 29, 2024

Elucidating molecular mechanism and chemical space of chalcones through biological networks and machine learning approaches.

Elucidating molecular mechanism and chemical space of chalcones through biological networks and machine learning approaches.

Journal: Computational and structural biotechnology journal

Published: May 09, 2024

Corrigendum: Navigating bioactivity space in anti-tubercular drug discovery through the deployment of advanced machine learning models and cheminformatics tools: a molecular modeling based retrospective study.

Corrigendum: Navigating bioactivity space in anti-tubercular drug discovery through the deployment of advanced machine learning models and cheminformatics tools: a molecular modeling based retrospective study.

Journal: Frontiers in pharmacology

Published: November 18, 2023

Integrating virtual screening, pharmacoinformatics profiling, and molecular dynamics: identification of promising inhibitors targeting 3CLpro of SARS-CoV-2.

Integrating virtual screening, pharmacoinformatics profiling, and molecular dynamics: identification of promising inhibitors targeting 3CLpro of SARS-CoV-2.

Journal: Frontiers in molecular biosciences

Published: October 03, 2023

Navigating bioactivity space in anti-tubercular drug discovery through the deployment of advanced machine learning models and cheminformatics tools: a molecular modeling based retrospective study.

Navigating bioactivity space in anti-tubercular drug discovery through the deployment of advanced machine learning models and cheminformatics tools: a molecular modeling based retrospective study.

Journal: Frontiers in pharmacology

Published: July 23, 2023

Insight into Structure Activity Relationship of DPP-4 Inhibitors for Development of Antidiabetic Agents.

Insight into Structure Activity Relationship of DPP-4 Inhibitors for Development of Antidiabetic Agents.

Journal: Molecules (Basel, Switzerland)

Published: May 13, 2023

Identification of novel pyrazole containing ɑ-glucosidase inhibitors: insight into pharmacophore, 3D-QSAR, virtual screening, and molecular dynamics study.

Identification of novel pyrazole containing ɑ-glucosidase inhibitors: insight into pharmacophore, 3D-QSAR, virtual screening, and molecular dynamics study.

Journal: Journal of biomolecular structure & dynamics

Published: November 14, 2022

Pyrazole scaffold-based derivatives: A glimpse of α-glucosidase inhibitory activity, SAR, and route of synthesis.

Pyrazole scaffold-based derivatives: A glimpse of α-glucosidase inhibitory activity, SAR, and route of synthesis.

Journal: Archiv der Pharmazie

Published: August 08, 2022

Showing 1-12 of 19

Last Updated: 09/26/2026