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Tong, Jian-Bo, Qin, Shang-Shang, Lei, Shan, Wang, Yang (2019) Molecular modeling studies of HIV-1 non-nucleoside reverse transcriptase inhibitors using 3D-QSAR, virtual screening, and docking simulations. Journal of the Serbian Chemical Society, 84. 303-316 doi:10.2298/jsc180904098t

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Reference TypeJournal (article/letter/editorial)
TitleMolecular modeling studies of HIV-1 non-nucleoside reverse transcriptase inhibitors using 3D-QSAR, virtual screening, and docking simulations
JournalJournal of the Serbian Chemical Society
AuthorsTong, Jian-BoAuthor
Qin, Shang-ShangAuthor
Lei, ShanAuthor
Wang, YangAuthor
Year2019Volume84
PublisherNational Library of Serbia
DOIdoi:10.2298/jsc180904098tSearch in ResearchGate
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Mindat Ref. ID4550127Long-form Identifiermindat:1:5:4550127:6
GUID0
Full ReferenceTong, Jian-Bo, Qin, Shang-Shang, Lei, Shan, Wang, Yang (2019) Molecular modeling studies of HIV-1 non-nucleoside reverse transcriptase inhibitors using 3D-QSAR, virtual screening, and docking simulations. Journal of the Serbian Chemical Society, 84. 303-316 doi:10.2298/jsc180904098t
Plain TextTong, Jian-Bo, Qin, Shang-Shang, Lei, Shan, Wang, Yang (2019) Molecular modeling studies of HIV-1 non-nucleoside reverse transcriptase inhibitors using 3D-QSAR, virtual screening, and docking simulations. Journal of the Serbian Chemical Society, 84. 303-316 doi:10.2298/jsc180904098t
In(2019) Journal of the Serbian Chemical Society Vol. 84. National Library of Serbia

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Dong, Minghui, Ren, Yujie (2015) Molecular modeling studies of dihydro-alkyloxy-benzyl-oxopyrimidines (DABOs) as non-nucleoside inhibitors of HIV-1 reverse transcriptase using 3D-QSAR, Topomer CoMFA and molecular docking simulations. RSC Advances, 5 (18). 13754-13761 doi:10.1039/c4ra15397a
Tong, Jianbo, Lei, Shan, Qin, Shangshang, Wang, Yang (2018) QSAR studies of TIBO derivatives as HIV-1 reverse transcriptase inhibitors using HQSAR, CoMFA and CoMSIA. Journal of Molecular Structure, 1168. 56-64 doi:10.1016/j.molstruc.2018.05.005
Tong, Jian-Bo, Wang, Tian-Hao, Feng, Yi, Jiang, Guo-Yan (2021) QSAR studies of angiotensin converting enzyme inhibitors using CoMFA, CoMSIA and molecular docking. Journal of the Serbian Chemical Society, 86 (5) 469-482 doi:10.2298/jsc200615072t
Hosseini, Yaser, Mollica, Adriano, Mirzaie, Sako (2016) Structure-based virtual screening efforts against HIV-1 reverse transcriptase to introduce the new potent non-nucleoside reverse transcriptase inhibitor. Journal of Molecular Structure, 1125. 592-600 doi:10.1016/j.molstruc.2016.07.040
Tong, J.-B., Bai, M., Zhao, X. (2017) QSAR study by the RASMS method of DABO derivatives as HIV-1 reverse transcriptase non-nucleoside inhibitors. Journal of Structural Chemistry, 58 (7) 1418-1426 doi:10.1134/s0022476617070204
Hou, Jing-Xuan, Gu, Qing-Shan, Shi, Mei-Qi, Gao, Hui, Lu, Zheng, Wu, Qing-Kun (2022) 3D-QSAR and molecular docking studies of aminothiazole derivatives as Lim kinase 1 inhibitors. Journal of the Serbian Chemical Society, National Library of Serbia. 76 doi:10.2298/jsc220510076h
Liu, Genyan, Wang, Wenjie, Wan, Youlan, Ju, Xiulian, Gu, Shuangxi (2018) Application of 3D-QSAR, Pharmacophore, and Molecular Docking in the Molecular Design of Diarylpyrimidine Derivatives as HIV-1 Nonnucleoside Reverse Transcriptase Inhibitors. International Journal of Molecular Sciences, 19. 1436pp. doi:10.3390/ijms19051436
Sapre, Nitin S., Jain (Pancholi), Nilanjana, Gupta, Swagata, Sapre, Neelima (2013) Ligand based 3D-QSAR modelling studies on 2-amino-6-aryl sulfonylbenzonitriles (AASBNs) as non-nucleoside reverse transcriptase inhibitors of HIV-1. RSC Advances, 3 (26). 10442pp. doi:10.1039/c3ra40685g
Putz, Mihai V., Lazea, Marius, Putz, Ana-Maria, Duda-Seiman, Corina (2011) Introducing Catastrophe-QSAR. Application on Modeling Molecular Mechanisms of Pyridinone Derivative-Type HIV Non-Nucleoside Reverse Transcriptase Inhibitors. International Journal of Molecular Sciences, 12. 9533-9569 doi:10.3390/ijms12129533
Nichols, Sara E., Domaoal, Robert A., Thakur, Vinay V., Tirado-Rives, Julian, Anderson, Karen S., Jorgensen, William L. (2009) Discovery of Wild-Type and Y181C Mutant Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures. Journal of Chemical Information and Modeling, 49 (5) 1272-1279 doi:10.1021/ci900068k
Ivetac, Anthony, McCammon, J. Andrew (2009) Elucidating the Inhibition Mechanism of HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors through Multicopy Molecular Dynamics Simulations. Journal of Molecular Biology, 388 (3). 644-658 doi:10.1016/j.jmb.2009.03.037
 
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