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Journal of Biomolecular Structure and Dynamics Volume 39, 2021 - Issue 2
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Research Articles

Exploring structural requirements of isoform selective histone deacetylase inhibitors: a comparative in silico study

Kriti KashyapComputational Chemistry Laboratory, Department of Chemistry, University of Delhi, Delhi, IndiaView further author information
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Rita KakkarComputational Chemistry Laboratory, Department of Chemistry, University of Delhi, Delhi, IndiaCorrespondence[email protected]
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Pages 502-517 | Received 16 Oct 2019, Accepted 28 Dec 2019, Published online: 10 Jan 2020

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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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Articles from other publishers (9)

Jinxiao Ru, Yuxi Wang, Zijia Li, Jiaxing Wang, Changyu Ren & Jifa Zhang. (2023) Technologies of targeting histone deacetylase in drug discovery: Current progress and emerging prospects. European Journal of Medicinal Chemistry 261, pages 115800.
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Phuong Hong Nguyen, Bui Thi Buu Hue, Minh Quan Pham, Tran Phuong Hoa, Quang De Tran, Hosun Jung, Le Trong Hieu, Nguyen Cuong Quoc, Hong Vinh Quang, Nguyen Phu Quy, Hye Jin Yoo & Su-Geun Yang. (2023) Novel histone deacetylase 6 inhibitors using benzimidazole as caps for cancer treatment. New Journal of Chemistry 47:16, pages 7622-7631.
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Negar Omidkhah, Farhad Eisvand, Farzin Hadizadeh, Afshin Zarghi & Razieh Ghodsi. (2022) Synthesis, Cytotoxicity, Pan‐HDAC Inhibitory Activity and Docking Study of N‐(2‐Aminophenyl)‐2‐arylquinoline‐4‐ and N‐(2‐Aminophenyl)‐2‐arylbenzo[h]quinoline‐4‐carboxamides**. ChemistrySelect 7:29.
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Sravani Pulya, Tarun Patel, Milan Paul, Nilanjan Adhikari, Suvankar Banerjee, Ganesh Routholla, Swati Biswas, Tarun Jha & Balaram Ghosh. (2022) Selective inhibition of histone deacetylase 3 by novel hydrazide based small molecules as therapeutic intervention for the treatment of cancer. European Journal of Medicinal Chemistry 238, pages 114470.
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Yangrong Xu, Hangjun Tang, Yijie Xu, Jialin Guo, Xu Zhao, Qingguo Meng & Junhai Xiao. (2022) Design, Synthesis, Bioactivity Evaluation, Crystal Structures, and In Silico Studies of New α-Amino Amide Derivatives as Potential Histone Deacetylase 6 Inhibitors. Molecules 27:10, pages 3335.
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Padmini Pai, Avinash Kumar, Manasa Gangadhar Shetty, Suvarna Ganesh Kini, Manoj Bhat Krishna, Kapaettu Satyamoorthy & Kampa Sundara Babitha. (2022) Identification of potent HDAC 2 inhibitors using E-pharmacophore modelling, structure-based virtual screening and molecular dynamic simulation. Journal of Molecular Modeling 28:5.
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Hue Thi Buu Bui, Phuong Hong Nguyen, Quan Minh Pham, Hoa Phuong Tran, De Quang Tran, Hosun Jung, Quang Vinh Hong, Quoc Cuong Nguyen, Quy Phu Nguyen, Hieu Trong Le & Su-Geun Yang. (2022) Target Design of Novel Histone Deacetylase 6 Selective Inhibitors with 2-Mercaptoquinazolinone as the Cap Moiety. Molecules 27:7, pages 2204.
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Jinwei Li, Xianlei Yan, Cong Liang, Hongmou Chen, Meimei Liu, Zhikang Wu, Jiemin Zheng, Junsun Dang, Xiaojin La & Quan Liu. (2022) Comprehensive Analysis of the Differential Expression and Prognostic Value of Histone Deacetylases in Glioma. Frontiers in Cell and Developmental Biology 10.
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Kriti Kashyap & Rita Kakkar. (2021) In silico study of the synergistic anti-tumor effect of hybrid topoisomerase-HDAC inhibitors . Pure and Applied Chemistry 93:10, pages 1213-1228.
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