Dual inhibitors for aspartic proteases HIV-1 PR and renin: Advancements in AIDS-hypertension-diabetes linkage via Molecular dynamics, inhibition assays, and binding free energy calculations

Journal of Medicinal Chemistry

Volumn 55, Issue 12, 2012, Pages 5784-5796

  Tzoupis, Haralambos ^a,b   Leonis, Georgios ^a   Megariotis, Grigorios ^a,c   Supuran, Claudiu T ^d   Mavromoustakos, Thomas ^b   Papadopoulos, Manthos G ^a  

^a INSTITUTE OF BIOLOGY   (Greece)

^b UNIVERSITY OF ATHENS   (Greece)

^c NATIONAL TECHNICAL UNIVERSITY OF ATHENS   (Greece)

^d UNIVERSITY OF FLORENCE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ALISKIREN; CANAGLIFLOZIN; DARUNAVIR; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE; RENIN;

ACQUIRED IMMUNE DEFICIENCY SYNDROME; ARTICLE; BINDING AFFINITY; CONTROLLED STUDY; DIABETES MELLITUS; DRUG BINDING; DRUG MECHANISM; DRUG STRUCTURE; ENZYME INHIBITION; ENZYME STRUCTURE; HYPERTENSION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PREDICTION;

ACQUIRED IMMUNODEFICIENCY SYNDROME; DIABETES MELLITUS; HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; HUMANS; HYDROGEN BONDING; HYPERTENSION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; RENIN; SODIUM-GLUCOSE TRANSPORTER 2; THERMODYNAMICS;

EID: 84863107521     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm300180r     Document Type: Article

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