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Inhibition activities of catechol diether based non-nucleoside inhibitors against the HIV reverse transcriptase variants: Insights from molecular docking and ONIOM calculations
Affiliation:1. Department of Public Health and Infectious Diseases, University “La Sapienza”, P.le Aldo Moro 5, 00185 Rome, Italy;2. Botswana–University of Pennsylvania Partnership, P.O. Box AC 157 ACH, Gaborone, Botswana;3. Medical Education Partnership Laboratory, c/o Faculty of Medicine, University of Botswana, Pvt Bag 00713, Gaborone, Botswana;4. Division of Pediatrics, Department of Clinical Science, Intervention and Technology (CLINTEC), Karolinska Institutet, Karolinska University Hospital, B57, SE-141 86, Stockholm, Sweden;5. Division of Clinical Pharmacology, Department of Laboratory Medicine, Karolinska Institutet, Karolinska University Hospital, SE-141 86, Stockholm, Sweden;1. Department of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS), Zanjan 45137-66731, Iran;2. Department of Food Science, Faculty of Life Sciences, University of Copenhagen, Rolighedsvej 30, 1958 Frederiksberg C, Denmark;1. Department of Pharmacology, Yale University School of Medicine, New Haven, CT 06520-8066, USA;2. Department of Chemistry, Yale University, New Haven, CT 06520-8107, USA
Abstract:
Keywords:ONIOM  Molecular docking  Catechol diether  HIV-1 RT  Non-nucleotide inhibitors
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