Synthesis, screening and computational investigation of pentacycloundecane-peptoids as potent CSA-HIV PR inhibitors

European Journal of Medicinal Chemistry

Volumn 57, Issue , 2012, Pages 459-467

  Makatini, Maya M ^a   Petzold, Katja ^a   Arvidsson, Per I ^a,b,c   Honarparvar, Bahareh ^a   Govender, Thavendran ^a   Maguire, Glenn E M ^a   Parboosing, Raveen ^a   Sayed, Yasien ^d   Soliman, Mahmoud E S ^a,e   Kruger, Hendrik G ^a  

^a UNIVERSITY OF KWAZULU NATAL   (South Africa)

^b UPPSALA UNIVERSITY   (Sweden)

^c ASTRAZENECA R AND D   (Sweden)

^d UNIVERSITY OF THE WITWATERSRAND   (South Africa)

^e Zagazig University   (Egypt)

Author keywords

CSA HIV 1 wild type C SA protease; EASY ROESY; IC50; MD simulations; Molecular docking; Pentacycloundecane diol peptoid; Transition state analogs

Indexed keywords

ASPARTIC ACID; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITOR; LOPINAVIR; PENTACYCLOUNDECANE; PEPTOID; RITONAVIR; UNCLASSIFIED DRUG;

ARTICLE; CONTROLLED STUDY; DRUG CONFORMATION; DRUG POTENCY; DRUG SCREENING; DRUG SYNTHESIS; EFFICIENT ADIABATIC SYMMETRIZED ROTATING OVERHAUSER EFFECT SPECTROSCOPY; HUMAN; HUMAN CELL; HYDROGEN BOND; IC 50; MOLECULAR DOCKING; MOLECULAR STABILITY; NONHUMAN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NUCLEAR OVERHAUSER EFFECT; SIMULATION; STRUCTURE ACTIVITY RELATION;

CATALYTIC DOMAIN; HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; HUMANS; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; OLIGOPEPTIDES; PEPTOIDS; POLYCYCLIC COMPOUNDS; PROTEIN BINDING; SOUTH AFRICA; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84870237794     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2012.06.019     Document Type: Article

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