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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 32, 2017 - Issue 1
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Original Article

3D QSAR studies, pharmacophore modeling, and virtual screening of diarylpyrazole–benzenesulfonamide derivatives as a template to obtain new inhibitors, using human carbonic anhydrase II as a model protein

Yeganeh Entezari HeraviDepartment of Chemistry, Faculty of Science, University of Tehran, Tehran, Iran;
,
Hassan SereshtiDepartment of Chemistry, Faculty of Science, University of Tehran, Tehran, Iran; Correspondence[email protected] [email protected]
,
Ali Akbar SabouryInstitute of Biochemistry and Biophysics, University of Tehran, Tehran, Iran; Correspondence[email protected] [email protected]
,
Jahan GhasemiDepartment of Chemistry, Faculty of Science, University of Tehran, Tehran, Iran;
,
Marzieh AmirmostofianDepartment of Medicinal Chemistry, School of Pharmacy, Zabol University of Medical Sciences, Zabol, Iran;
&
Claudiu T. SupuranDipartimento Neurofarba, Universita degli Studi di Firenze, Sezione di Scienze Farmaceutiche, Florence, Sesto Fiorentino, Italy
Pages 688-700 | Received 06 Aug 2016, Accepted 22 Sep 2016, Published online: 19 Mar 2017

Citations (15)

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Abdelmoujoud Faris, Hanine Hadni, Ibrahim M. Ibrahim & Menana Elhallaoui. (2023) In silico discovery of potent and selective Janus kinase 3 (JAK3) inhibitors through 3D-QSAR, covalent docking, ADMET analysis, molecular dynamics simulations, and binding free energy of pyrazolopyrimidine derivatives. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-17.
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Kássia Caroline Figueredo, Camille Gaube Guex, James Graiczik, Fernanda Ziegler Reginato, Ana Martiele Engelmann, Cínthia Melazzo De Andrade, Luís Fernando Saraiva Macedo Timmers & Liliane De Freitas Bauermann. (2022) Caffeic acid and ferulic acid can improve toxicological damage caused by iron overload mediated by carbonic anhydrase inhibition. Drug and Chemical Toxicology 0:0, pages 1-9.
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Saida Khamouli, Salah Belaidi, Mebarka Ouassaf, Touhami Lanez, Said Belaaouad & Samir Chtita. (2022) Multi-combined 3D-QSAR, docking molecular and ADMET prediction of 5-azaindazole derivatives as LRRK2 tyrosine kinase inhibitors. Journal of Biomolecular Structure and Dynamics 40:3, pages 1285-1298.
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Muthumanickam Sankar, Langeswaran K, Sangavi Jeyachandran & Boomi Pandi. (2021) Screening of inhibitors as potential remedial against Ebolavirus infection: pharmacophore-based approach. Journal of Biomolecular Structure and Dynamics 39:2, pages 395-408.
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Mohammad M. Al-Sanea, Ahmed Elkamhawy, Sora Paik, Silvia Bua, So Ha Lee, Mohamed A. Abdelgawad, Eun Joo Roh, Wagdy M. Eldehna & Claudiu T. Supuran. (2019) Synthesis and biological evaluation of novel 3-(quinolin-4-ylamino)benzenesulfonamides as carbonic anhydrase isoforms I and II inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry 34:1, pages 1457-1464.
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Suleyman Akocak, Nabih Lolak, Silvia Bua, Alessio Nocentini & Claudiu T. Supuran. (2019) Activation of human α-carbonic anhydrase isoforms I, II, IV and VII with bis-histamine schiff bases and bis-spinaceamine substituted derivatives. Journal of Enzyme Inhibition and Medicinal Chemistry 34:1, pages 1193-1198.
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Baijayantimala Swain, Andrea Angeli, Srinivas Angapelly, Pavitra S. Thacker, Priti Singh, Claudiu T. Supuran & Mohammed Arifuddin. (2019) Synthesis of a new series of 3-functionalised-1-phenyl-1,2,3-triazole sulfamoylbenzamides as carbonic anhydrase I, II, IV and IX inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry 34:1, pages 1199-1209.
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Articles from other publishers (8)

Rehab F. Ahmed, Walaa R. Mahmoud, Nagwa M. Abdelgawad, Marwa A. Fouad & Mona F. Said. (2023) Exploring novel anticancer pyrazole benzenesulfonamides featuring tail approach strategy as carbonic anhydrase inhibitors. European Journal of Medicinal Chemistry 261, pages 115805.
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Juan Shi, Shuang Gao, Jia-Yu Wang, Tong Ye, Ming-Li Yue, Ying Fu & Fei Ye. (2022) Computer-Aided and AILDE Approaches to Design Novel 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors. International Journal of Molecular Sciences 23:14, pages 7822.
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Reem Altaf, Humaira Nadeem, Umair Ilyas, Jamshed Iqbal, Rehan Zafar Paracha, Hajra Zafar, Ana Cláudia Paiva-Santos, Muhammad Sulaiman & Faisal Raza. (2022) Cytotoxic Evaluation, Molecular Docking, and 2D-QSAR Studies of Dihydropyrimidinone Derivatives as Potential Anticancer Agents. Journal of Oncology 2022, pages 1-25.
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Tong Jian-Bo, Zhang Xing, Bian Shuai, Luo Ding & Wang Tian-Hao. (2022) Topomer CoMFA and HQSAR Study on Benzimidazole Derivative as NS5B Polymerase Inhibitor. Letters in Drug Design & Discovery 19:1, pages 54-68.
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A. M. Zhang, N. Wei, X. F. Liu, M. G. Wu & G. S. Xuan. (2021) Inhibitory Evaluation and Molecular Docking Analysis of Benzenesulfonamides on Carbonic Anhydrase II. Russian Journal of Bioorganic Chemistry 47:1, pages 261-269.
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Xueting Xu, Binbin Xu, Xin Wang & Jiazhong Li. (2020) Quantitative structure-activity relationships study of a series of niacinamide analogues as androgen receptor antagonists. Journal of Molecular Structure 1201, pages 127128.
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Yuxuan Wang, Haiqiong Guo, Guanghui Tang, Qingxiu He, Yuping Zhang, Yong Hu, Yuanqiang Wang & Zhihua Lin. (2019) A selectivity study of benzenesulfonamide derivatives on human carbonic anhydrase II/IX by 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation. Computational Biology and Chemistry 80, pages 234-243.
Crossref
Visvaldas Kairys, Kliment Olechnovič, Vytautas Raškevičius & Daumantas Matulis. 2019. Carbonic Anhydrase as Drug Target. Carbonic Anhydrase as Drug Target 215 232 .

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