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Journal of Biomolecular Structure and Dynamics Volume 38, 2020 - Issue 5
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Research Articles

Structural exploration of tetrahydroisoquinoline derivatives as HDAC8 inhibitors through multi-QSAR modeling study

Suvankar BanerjeeNatural Science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, West Bengal, India; View further author information
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Nilanjan AdhikariNatural Science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, West Bengal, India; ;School of Pharmaceutical Technology, ADAMAS University, Kolkata, West Bengal, IndiaORCID Iconhttp://orcid.org/0000-0001-5523-7716View further author information
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Sk. Abdul AminNatural Science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, West Bengal, India; ORCID Iconhttp://orcid.org/0000-0003-4799-7322View further author information
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Tarun JhaNatural Science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, West Bengal, India; ORCID Iconhttp://orcid.org/0000-0002-9996-738XView further author information
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Pages 1551-1564 | Received 17 Oct 2018, Accepted 24 Apr 2019, Published online: 17 May 2019

Citations (11)

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Suvankar Banerjee, Shraddha Dumawat, Tarun Jha, Goverdhan Lanka, Nilanjan Adhikari & Balaram Ghosh. (2023) 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. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-23.
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Suvankar Banerjee, Shristi Kejriwal, Balaram Ghosh, Goverdhan Lanka, Tarun Jha & Nilanjan Adhikari. (2023) Fragment-based investigation of thiourea derivatives as VEGFR-2 inhibitors: a cross-validated approach of ligand-based and structure-based molecular modeling studies. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-17.
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S. Banerjee, S.K. Baidya, N. Adhikari & T. Jha. (2022) A comparative quantitative structural assessment of benzothiazine-derived HDAC8 inhibitors by predictive ligand-based drug designing approaches. SAR and QSAR in Environmental Research 33:12, pages 987-1011.
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Qunlin Li, Kairui Feng, Jianxin Liu & Yujie Ren. (2021) Molecular modeling studies of novel naphthyridine and isoquinoline derivatives as CDK8 inhibitors. Journal of Biomolecular Structure and Dynamics 39:17, pages 6355-6369.
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Guoyi Yan, Dongxiao Li, Xinxin Zhong, Ge Liu, Xueqin Wang, Yuanxiang Lu, Fangyuan Qin, Yuqi Guo, Shaofeng Duan & Deyu Li. (2021) Identification of HDAC6 selective inhibitors: pharmacophore based virtual screening, molecular docking and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 39:6, pages 1928-1939.
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Suvankar Banerjee, Sk. Abdul Amin, Nilanjan Adhikari & Tarun Jha. (2020) Essential elements regulating HDAC8 inhibition: a classification based structural analysis and enzyme-inhibitor interaction study of hydroxamate based HDAC8 inhibitors. Journal of Biomolecular Structure and Dynamics 38:18, pages 5513-5525.
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S. Banerjee, S.A. Amin, S.K. Baidya, N. Adhikari & T. Jha. (2020) Exploring the structural aspects of ureido-amino acid-based APN inhibitors: a validated comparative multi-QSAR modelling study. SAR and QSAR in Environmental Research 31:5, pages 325-345.
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S.A. Amin, S. Banerjee, N. Adhikari & T. Jha. (2020) Discriminations of active from inactive HDAC8 inhibitors Part II: Bayesian classification study to find molecular fingerprints. SAR and QSAR in Environmental Research 31:4, pages 245-260.
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Articles from other publishers (3)

Abdullahi Ibrahim Uba & Gokhan Zengin. (2023) In the quest for histone deacetylase inhibitors: current trends in the application of multilayered computational methods. Amino Acids.
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Suvankar Banerjee, Sandip Kumar Baidya, Balaram Ghosh, Nilanjan Adhikari & Tarun Jha. (2022) The first report on predictive comparative ligand-based multi-QSAR modeling analysis of 4-pyrimidinone and 2-pyridinone based APJ inhibitors. New Journal of Chemistry 46:24, pages 11591-11607.
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Sk Abdul Amin, Nilanjan Adhikari & Tarun Jha. (2020) Exploration of histone deacetylase 8 inhibitors through classification QSAR study: Part II. Journal of Molecular Structure 1204, pages 127529.
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