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Development of Potential HIV-1 Inhibitors by In Silico Click Chemistry And Molecular Modeling Methods
Разработка потенциальных ингибиторов ВИЧ-1 методами in silico клик-химии и молекулярного моделирования
2018
Математическая биология и биоинформатика
Разработка потенциальных ингибиторов ВИЧ-1 методами in silico клик-химии и молекулярного моделирования
Preserved Fulltext
Design of novel potential HIV-1 inhibitors able to block CD4-binding site of the envelope gp120 protein was carried out based on click chemistry in silico, a methodology allowing one to generate a large number of drug candidates by assembly from small modular units and to study their properties. Using the methods of molecular modeling, the neutralizing activity of designed molecules was evaluated, as a result of which five leading compounds that are promising for synthesis and biological trials
doi:10.17537/2018.13.507
fatcat:zr4vs7uprzagjh25iuzz6ty7vq