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- Computational study on the interaction between CCR5 and HIV-1 entry inhibitor maraviroc: insight from accelerated molecular dynamics simulation and free energy calculation. Qifeng Bai, Yang Zhang, Xiaomeng Li, Wenbo Chen, Huanxiang Liu, Xiaojun Yao
, Phys. Chem. Chem. Phys.
, 2014
, 16
, 24332
- A bivalent ligand targeting the putative mu opioid receptor and chemokine receptor CCR5 heterodimer: binding affinity versus functional activities. Yunyun Yuan, Christopher K. Arnatt, Nazira El-Hage, Seth M. Dever, Joanna C. Jacob, Dana E. Selley, Kurt F. Hauser, Yan Zhang
, Med. Chem. Commun.
, 2013
, 4
, 847
- Diazabicyclo analogues of maraviroc: synthesis, modeling, NMR studies and antiviral activity. L. Legnani, D. Colombo, A. Venuti, C. Pastori, L. Lopalco, L. Toma, M. Mori, G. Grazioso, S. Villa
, Med. Chem. Commun.
, 2017
, 8
, 422
- Identification of potential CCR5 inhibitors through pharmacophore-based virtual screening, molecular dynamics simulation and binding free energy analysis. Juan Wang, Mao Shu, Yuanqiang Wang, Yong Hu, Yuanliang Wang, Yanfeng Luo, Zhihua Lin
, Mol. BioSyst.
, 2016
, 12
, 3396
- Design and synthesis of a bivalent ligand to explore the putative heterodimerization of the mu opioid receptor and the chemokine receptor CCR5. Yunyun Yuan, Christopher K. Arnatt, Guo Li, Kendra M. Haney, Derong Ding, Joanna C. Jacob, Dana E. Selley, Yan Zhang
, Org. Biomol. Chem.
, 2012
, 10
, 2633
- Camphor-based CCR5 blocker lead compounds – a computational and experimental approach. Gonçalo C. Justino, Pedro F. Pinheiro, Alexandra P. S. Roseiro, Ana S. O. Knittel, João Gonçalves, Marta C. Justino, M. Fernanda N. N. Carvalho
, RSC Adv.
, 2016
, 6
, 56249
- Targeting the protein–protein interactions of the HIV lifecycle. Ali Tavassoli
, Chem. Soc. Rev.
, 2011
, 40
, 1337
- Asymmetric organocatalysis: an enabling technology for medicinal chemistry. Bo Han, Xiang-Hong He, Yan-Qing Liu, Gu He, Cheng Peng, Jun-Long Li
, Chem. Soc. Rev.
, 2021
, 50
, 1522
- Biocatalytic routes to anti-viral agents and their synthetic intermediates. Sjoerd Slagman, Wolf-Dieter Fessner
, Chem. Soc. Rev.
, 2021
, 50
, 1968
- Review on fluorinated nucleoside/non-nucleoside FDA-approved antiviral drugs. Magda M. F. Ismail, Mohammed Salah Ayoup
, RSC Adv.
, 2022
, 12
, 31032