Publications by authors named "Suvankar Banerjee"

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Molecular modeling to simulation: insights into Gaussian QSAR, molecular docking, and DFT for identification of HDAC3 inhibitors for neurocognitive vascular dementia.
Debojyoti Halder, Suvankar Banerjee, Swati Biswas, Nilanjan Adhikari, Balaram Ghosh

Sci Rep· December 2025

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Recent advances in the design and development of small-molecule MMP-2 inhibitors.
Ishita Biswas, Jigme Sangay Dorjay Tamang, Subha Mondal, Suvankar Banerjee, Balaram Ghosh

Future Med Chem· November 2025

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PROTAC-Based HDAC Degradation: A Paradigm Shift in Targeted Epigenetic Therapies.
Ambati Himaja, Debojyoti Halder, Suvankar Banerjee, Swati Biswas, Nilanjan Adhikari

ChemMedChem· November 2025

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Arylcarboxamide Derivatives as Promising HDAC8 Inhibitors: An Overview in Light of Structure-activity Relationship and Binding Mode of Interaction Analysis.
Suvankar Banerjee, Sandip Kumar Baidya, Tarun Jha, Balaram Ghosh, Nilanjan Adhikari

Med Chem· September 2025

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Design and synthesis of pyridine-based benzamides as potent HDAC3 inhibitors as an armament against breast cancer with in vivo validation.
Ambati Himaja, Ganesh Routholla, Tarun Patel, Suvankar Banerjee, Darakhshan Begum

Eur J Med Chem· July 2025

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Fosamprenavir and Tirofiban to combat COPD and cancer: A drug repurposing strategy integrating virtual screening, MD simulation, and DFT studies.
Jigme Sangay Dorjay Tamang, Suvankar Banerjee, Balaram Ghosh, Nilanjan Adhikari

J Mol Graph Model· May 2025

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A combined ligand-based and structure-based molecular modeling approach to pinpoint the key structural attributes of hydroxamate derivatives as promising meprin β inhibitors.
Sandeep Jana, Suvankar Banerjee, Sandip Kumar Baidya, Balaram Ghosh, Tarun Jha

J Biomol Struct Dyn· March 2025

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Fragment-based discovery of new potential DNMT1 inhibitors integrating multiple pharmacophore modeling, 3D-QSAR, virtual screening, molecular docking, ADME, and molecular dynamics simulation approaches.
Goverdhan Lanka, Suvankar Banerjee, Nilanjan Adhikari, Balaram Ghosh

Mol Divers· February 2025

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An overview of matrix metalloproteinase-12 in multiple disease conditions, potential selective inhibitors, and drug designing strategies.
Jigme Sangay Dorjay Tamang, Suvankar Banerjee, Sandip Kumar Baidya, Sanjib Das, Balaram Ghosh

Eur J Med Chem· February 2025

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Derivatives of D(-)-glutamine-based MMP-2 inhibitors as an effective remedy for the management of chronic myeloid leukemia-Part-III: Synthesis, biological screening and in silico binding interaction analysis.
Sanjib Das, Tarun Patel, Ambati Himaja, Sanjeev Regula, Suvankar Banerjee

Bioorg Chem· January 2025

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Unveiling structural components of dibenzofuran-based MMP-12 inhibitors: a comparative classification-dependent analysis with molecular docking-based virtual screening and molecular dynamics simulation.
Jigme Sangay Dorjay Tamang, Suvankar Banerjee, Balaram Ghosh, Sandip Kumar Baidya, Tarun Jha

In Silico Pharmacol· January 2025

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Exploring the key structural attributes and chemico-biological interactions of pyridinone-based SARS-CoV-2 3CL inhibitors through validated structure-based drug design strategies.
Suvankar Banerjee, Sandip Kumar Baidya, Balaram Ghosh, Tarun Jha, Nilanjan Adhikari

Heliyon· December 2024

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Pharmacophore modeling, 3D-QSAR, and MD simulation-based overture for the discovery of new potential HDAC1 inhibitors.
Goverdhan Lanka, Suvankar Banerjee, Sanjeev Regula, Nilanjan Adhikari, Balaram Ghosh

J Biomol Struct Dyn· November 2024

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Fragment-based structural exploration and chemico-biological interaction study of HDAC3 inhibitors through non-linear pattern recognition, chemical space, and binding mode of interaction analysis.
Suvankar Banerjee, Shraddha Dumawat, Tarun Jha, Goverdhan Lanka, Nilanjan Adhikari

J Biomol Struct Dyn· October 2024

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A patent review of histone deacetylase 8 (HDAC8) inhibitors (2013-present).
Suvankar Banerjee, Balaram Ghosh, Tarun Jha, Nilanjan Adhikari

Expert Opin Ther Pat· October 2024

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Employing comparative QSAR techniques for the recognition of dibenzofuran and dibenzothiophene derivatives toward MMP-12 inhibition.
Jigme Sangay Dorjay Tamang, Suvankar Banerjee, Sandip Kumar Baidya, Balaram Ghosh, Nilanjan Adhikari

J Biomol Struct Dyn· September 2024

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Biphenylsulfonamides as effective MMP-2 inhibitors with promising antileukemic efficacy: Synthesis, in vitro biological evaluation, molecular docking, and MD simulation analysis.
Sandip K Baidya, Tarun Patel, Ambati Himaja, Suvankar Banerjee, Sanjib Das

Drug Dev Res· September 2024

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Derivatives of D(-) glutamine-based MMP-2 inhibitors as an effective remedy for the management of chronic myeloid leukemia-Part-I: Synthesis, biological screening and in silico binding interaction analysis.
Sanjib Das, Subha Mondal, Tarun Patel, Ambati Himaja, Nilanjan Adhikari, Suvankar Banerjee

Eur J Med Chem· August 2024

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An assessment of crucial structural contributors of HDAC6 inhibitors through fragment-based non-linear pattern recognition and molecular dynamics simulation approaches.
Suvankar Banerjee, Sandeep Jana, Tarun Jha, Balaram Ghosh, Nilanjan Adhikari

Comput Biol Chem· June 2024

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Fragment-based investigation of thiourea derivatives as VEGFR-2 inhibitors: a cross-validated approach of ligand-based and structure-based molecular modeling studies.
Suvankar Banerjee, Shristi Kejriwal, Balaram Ghosh, Goverdhan Lanka, Tarun Jha

J Biomol Struct Dyn· January 2024

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A fragment-based exploration of diverse MMP-9 inhibitors through classification-dependent structural assessment.
Sandip Kumar Baidya, Suvankar Banerjee, Balaram Ghosh, Tarun Jha, Nilanjan Adhikari

J Mol Graph Model· January 2024

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Hydrazides as Potential HDAC Inhibitors: Structure-activity Relationships and Biological Implications.
Suvankar Banerjee, Sandip Kumar Baidya, Nilanjan Adhikari, Tarun Jha, Balaram Ghosh

Curr Top Med Chem· November 2023

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Pharmacophore-based virtual screening, 3D QSAR, Docking, ADMET, and MD simulation studies: An in silico perspective for the identification of new potential HDAC3 inhibitors.
Goverdhan Lanka, Darakhshan Begum, Suvankar Banerjee, Nilanjan Adhikari, Yogeeswari P

Comput Biol Med· November 2023

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An updated patent review of matrix metalloproteinase (MMP) inhibitors (2021-present).
Suvankar Banerjee, Sandip Kumar Baidya, Nilanjan Adhikari, Tarun Jha

Expert Opin Ther Pat· October 2023

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Selective HDAC3 Inhibitors with Potent In Vivo Antitumor Efficacy against Triple-Negative Breast Cancer.
Sravani Pulya, Ambati Himaja, Milan Paul, Nilanjan Adhikari, Suvankar Banerjee

J Med Chem· September 2023

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