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Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents targeting XIAP protein

机译：基于结构的药种造型，虚拟筛选，分子对接和探测靶向XIAP蛋白的天然抗癌剂的探测方法

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Firoz A. Dain Md Opo; Mohammed M. Rahman; Foysal Ahammad; Istiak Ahmed; Mohiuddin Ahmed Bhuiyan; Abdullah M. Asiri;
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年度 2021
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1. Applications of 3D-QSAR and structure-based pharmacophore modeling, virtual screening, ADMET, and molecular docking of putative MAPKAP-K2 (MK2) inhibitors [J] . Tai-Jin Wang, Lu Zhou, Jia Fei, Medicinal chemistry research: an international journal for rapid communications on design and mechanisms of action of biologically active agents . 2013,第10期

机译：3D-QSAR和基于结构的药效团建模，虚拟筛选，ADMET和推定的MAPKAP-K2（MK2）抑制剂的分子对接的应用
2. Identification of Potential C-kit Protein Kinase Inhibitors Associated with Human Liver Cancer Atom-based 3D-QSAR Modeling, Pharmacophores-based Virtual Screening and Molecular Docking Studies [J] . Koffi Alexis Respect Kouassi, Adenidji Ganiyou, Anoubilé Benié, American Journal of Pharmacological Sciences . 2021,第1期

机译：鉴定潜在的C-kit蛋白激酶抑制剂与基于人肝癌原子的3D QSAR建模，基于药物的虚拟筛选和分子对接研究
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4. Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecule based inhibitors against metallothionein-III to study Alzheimer's disease [C] . Roy Sandip, Kumar Ajit, Provaznik Ivo IEEE International Conference on Bioinformatics and Biomedicine . 2014

机译：虚拟筛选，ADMET分析，分子对接和动力学方法以寻找有效的基于选择性天然分子的金属硫蛋白-III抑制剂来研究阿尔茨海默氏病
5. Refinement of the Docking Component of Virtual Screening for PPARgamma Therapeutics Using Pharmacophore Analysis and Molecular Dynamics. [D] . Lewis, Stephanie Nicole. 2013

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6. Structure-Based Pharmacophore Modeling Virtual Screening Molecular Docking and Biological Evaluation for Identification of Potential Poly (ADP-Ribose) Polymerase-1 (PARP-1) Inhibitors [O] . Yunjiang Zhou, Shi Tang, Tingting Chen, 2019

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机译：药物模型，分子对接和虚拟筛选研究的组合揭示了3,5,7-三羟基-2-（3,4,5-三羟基苯基） - 4H- Chromen-4-一种作为COT激酶的潜在抗癌剂

Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents targeting XIAP protein

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