Synthesis, 2D-NMR and molecular modelling studies of pentacycloundecane lactam-peptides and peptoids as potential HIV-1 wild type C-SA protease inhibitors

Journal of Enzyme Inhibition and Medicinal Chemistry

Volumn 28, Issue 1, 2013, Pages 78-88

  Makatini, Maya M ^a   Petzold, Katja ^b   Alves, Cláudio Nahum ^c   Arvidsson, Per I ^a,d,e   Honarparvar, Bahareh ^b   Govender, Patrick ^b   Govender, Thavendran ^a   Kruger, Hendrik G ^b   Sayed, Yasien ^f   Jeronimolameira ^c   Maguire, Glenn E M ^b   Soliman, Mahmoud E S ^a,g  

^a School of Pharmacy and Pharmacology   (South Africa)

^b UNIVERSITY OF KWAZULU NATAL   (South Africa)

^c FEDERAL UNIVERSITY OF PARÁ   (Brazil)

^d UPPSALA UNIVERSITY   (Sweden)

^e ASTRAZENECA R AND D   (Sweden)

^f UNIVERSITY OF THE WITWATERSRAND   (South Africa)

^g Zagazig University   (Egypt)

Author keywords

HIV 1 wild type C SA protease; Molecular docking; Pentacycloundecane lactam peptides; Peptoids; QM MM MD simulations

Indexed keywords

ANTIVIRUS AGENT; ATAZANAVIR; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITOR; LOPINAVIR; PENTACYCLOUNDECANE LACTAM PEPTIDE; PEPTIDE; PEPTOID; UNCLASSIFIED DRUG;

ANTIVIRAL ACTIVITY; ARTICLE; CONTROLLED STUDY; CYTOTOXICITY; DRUG EFFICACY; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME ACTIVITY; HUMAN; HUMAN CELL; HYDROGEN BOND; IC 50; IN VITRO STUDY; MOLECULAR DOCKING; MOLECULAR MODEL; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; SIMULATION;

CELL LINE; HIV PROTEASE; HIV PROTEASE INHIBITORS; HUMANS; INHIBITORY CONCENTRATION 50; LACTAMS; LOPINAVIR; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PEPTOIDS; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; TOXICITY TESTS;

EID: 84874150312     PISSN: 14756366     EISSN: 14756374     Source Type: Journal    
DOI: 10.3109/14756366.2011.633907     Document Type: Article

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