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MOLECULAR DOCKING, MOLECULAR DYNAMICS, AND IN SILICO TOXICITY PREDICTION STUDIES OF COUMARIN, N-OXALYLGLYCINE, ORGANOSELENIUM, ORGANOSULFUR, AND PYRIDINE DERIVATIVES AS HISTONE LYSINE DEMETHYLASE INHIBITORS

机译：分子对接，分子动力学和香豆素，N-氧基甘氨酸，有机烯，有机硫磺和吡啶衍生物的硅毒性预测研究，作为组蛋白赖氨酸脱甲基酶抑制剂

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Fauzan Zein Muttaqin; Taufik Muhammad Fakih; Hubbi Nashrullah Muhammad;
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1. MOLECULAR DOCKING, MOLECULAR DYNAMICS, AND IN SILICO TOXICITY PREDICTION STUDIES OF COUMARIN, N-OXALYLGLYCINE, ORGANOSELENIUM, ORGANOSULFUR, AND PYRIDINE DERIVATIVES AS HISTONE LYSINE DEMETHYLASE INHIBITORS [J] . Fauzan Zein Muttaqin, Taufik Muhammad Fakih, Hubbi Nashrullah Muhammad Asian Journal of Pharmaceutical and Clinical Research . 2017,第12期

机译：香豆素，N-氧乙酸，有机硒，有机硫和吡啶衍生物作为组蛋白赖氨酸脱甲基酶抑制剂的分子对接，分子动力学和硅毒性预测研究
2. Probing the binding mechanism of substituted pyridine derivatives as effective and selective lysine-specific demethylase 1 inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations [J] . Zhi-Zheng Wang, Jing Yang, Xu-Dong Sun, Journal of Biomolecular Structure and Dynamics . 2019,第13a14期

机译：使用3D-QSAR，分子对接和分子动力学模拟探测取代吡啶衍生物为有效和选择性赖氨酸特异性去甲基酶1抑制剂的结合机理
3. Repurposing benzimidazole and benzothiazole derivatives as potential inhibitors of SARS-CoV-2: DFT, QSAR, molecular docking, molecular dynamics simulation, and in-silico pharmacokinetic and toxicity studies [J] . Ranjan K. Mohapatra, Kuldeep Dhama, Amr Ahmed El–Arabey, Journal of King Saud University . 2021,第8期

机译：将苯并咪唑和苯并噻唑衍生物作为SARS-COV-2的潜在抑制剂：DFT，QSAR，分子对接，分子动力学模拟和 In-silico：斜体>药代动力学和毒性研究
4. In Silico-Guided Discovery of Potential HIV-1 Entry Inhibitors Mimicking bNAb N6: Virtual Screening, Docking, Molecular Dynamics, and Post-Molecular Modeling Analysis [C] . Alexander M. Andrianov, Grigory I. Nikolaev, Yuri V. Kornoushenko, International Symposium on Bioinformatics Research and Applications . 2020

机译：在计算机模拟下发现模仿bNAb N6的潜在HIV-1进入抑制剂：虚拟筛选，对接，分子动力学和分子后建模分析
5. 1alpha,25-dihydroxyvitamin D3 Agonist and Histone Deacetylase Inhibitor Bifunctional Ligand Discovery Virtual Docking, Synthesis, Fluorescence Polarization-Based Screening, and Molecular Dynamics Simulations . [D] . Burger, Melanie C. 2011

机译：1alpha，25-dihydroxyvitamin D3激动剂和组蛋白脱乙酰基酶抑制剂双功能配体的发现虚拟对接，合成，基于荧光偏振的筛选和分子动力学模拟。
6. Coumarin derivatives as acetyl- and butyrylcholinestrase inhibitors: An in vitro molecular docking and molecular dynamics simulations study [O] . Marwa N. Abu-Aisheh, Amal Al-Aboudi, Mohammad S. Mustafa, 2019

机译：香豆素衍生物作为乙酰基和丁酰胆碱酯酶抑制剂：体外分子对接和分子动力学模拟研究
7. MOLECULAR DOCKING AND MOLECULAR DYNAMIC STUDIES OF STILBENE DERIVATIVE COMPOUNDS AS SIRTUIN-3 (SIRT3) HISTONE DEACETYLASE INHIBITOR ON MELANOMA SKIN CANCER AND THEIR TOXICITIES PREDICTION [O] . Fauzan Zein Muttaqin 2019

机译：Sirbene衍生物化合物作为Sirtuin-3（SIRT3）组蛋白脱乙酰酶抑制剂对黑素瘤皮肤癌的分子对接及分子动力学研究及其毒性预测

MOLECULAR DOCKING, MOLECULAR DYNAMICS, AND IN SILICO TOXICITY PREDICTION STUDIES OF COUMARIN, N-OXALYLGLYCINE, ORGANOSELENIUM, ORGANOSULFUR, AND PYRIDINE DERIVATIVES AS HISTONE LYSINE DEMETHYLASE INHIBITORS

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