Discovery of new AKT1 inhibitors by combination of in silico structure based virtual screening approaches and biological evaluations

Fratev Filip; Gutierrez Denisse A.; Aguilera Renato J.; Tyagi Ashish; Damodaran Chendil; Sirimulla Suman

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Discovery of new AKT1 inhibitors by combination of in silico structure based virtual screening approaches and biological evaluations

机译：基于Silico结构的虚拟筛选方法和生物学评估，通过组合发现新的AKT1抑制剂

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来源
《Journal of Biomolecular Structure and Dynamics》 |2021年第2期|共10页
作者
Fratev Filip; Gutierrez Denisse A.; Aguilera Renato J.; Tyagi Ashish; Damodaran Chendil; Sirimulla Suman;
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作者单位

Univ Texas El Paso Sch Pharm Dept Pharmaceut Sci El Paso TX 79968 USA;

Univ Texas El Paso Dept Biol Sci El Paso TX 79968 USA;

Univ Texas El Paso Dept Biol Sci El Paso TX 79968 USA;

Univ Louisville Dept Urol Louisville KY 40292 USA;

Univ Louisville Dept Urol Louisville KY 40292 USA;

Univ Texas El Paso Sch Pharm Dept Pharmaceut Sci El Paso TX 79968 USA;

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原文格式 PDF
正文语种 eng
中图分类分子生物学;
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2. Study of Aldo-keto Reductase 1C3 Inhibitor with Novel Framework for Treating Leukaemia Based on Virtual Screening and In vitro Biological Activity Testing [J] . LIU Fei, LI Ren, YE Jing, 高等学校化学研究（英文版） . 2021,第003期
3. Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays [J] . Wenfang Zhou, Tingjun Hou, Mojie Duan, 基因组蛋白质组与生物信息学报（英文版） . 2018,第006期
4. Structure-based drug design of a novel family of chalcones as PPARα agonists: virtual screening, synthesis, and biological activities in vitro [J] . Xiang-hua LI, Han-jun ZOU, An-hui WU, 中国药理学报：英文版 . 2007,第012期
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机译：基于配体的基于结构的虚拟筛选和体外生物学评估，通过组合新型潜在选择性HDAC8抑制剂的发现
6. Design of Novel Rho Kinase Inhibitors Using Energy Based Pharmacophore Modeling, Shape-Based Screening, in Silico Virtual Screening, and Biological Evaluation [J] . Ram Kumar Mishra, Reshma Alokam, Sarthak Mohan Singhal, Journal of chemical information and modeling . 2014,第10期

机译：使用基于能量的药代动力学模型，基于形状的筛选，计算机模拟虚拟筛选和生物学评估设计新型Rho激酶抑制剂
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8. Ligand- and Structure-based Virtual Screening Studies for the Discovery of Selective Inhibitors [C] . Jung Woo Park, Sung-Wha Hong IEEE International Conference on Bioinformatics and Biomedicine . 2019

机译：基于配体和结构的虚拟筛选研究，用于发现选择性抑制剂
9. Hit Identification for PKCzeta Inhibitors: Structure-Based Optimization, Virtual Screening, and Biological Evaluation. [D] . Wu, Xiaoxin. 2016

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11. Discovery of New AKT1 Inhibitors by Combination of In silico Structure Based Virtual Screening Approaches and Biological Evaluations [O] . Filip Fratev, Denisse A. Gutierrez, Renato J. Aguilera, 2019

机译：基于Silico结构的虚拟筛选方法和生物学评估，通过组合发现新的AKT1抑制剂
12. Revealing the Functions of Tenascin-C in 3-D Breast Cancer Models Using Cell Biological and in Silico Approaches; Annual rept. 15 Feb 2007-14 Feb 2008 [R] . Tarasevicuite, A. 2008

机译：利用细胞生物学和硅胶法揭示Tenascin-C在三维乳腺癌模型中的功能;年度报告。 2007年2月15日至2008年2月14日

Discovery of new AKT1 inhibitors by combination of in silico structure based virtual screening approaches and biological evaluations

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