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. (1374). THE DESIGN, MODELING AND EVALUATION OF POTENTIAL HIV PROTEASE INHIBITORS USING BLITZ, AN INTERACTIVE COMPUTER GRAPHICS WORKING TOOL. , 7(1), -.
. "THE DESIGN, MODELING AND EVALUATION OF POTENTIAL HIV PROTEASE INHIBITORS USING BLITZ, AN INTERACTIVE COMPUTER GRAPHICS WORKING TOOL". , 7, 1, 1374, -.
. (1374). 'THE DESIGN, MODELING AND EVALUATION OF POTENTIAL HIV PROTEASE INHIBITORS USING BLITZ, AN INTERACTIVE COMPUTER GRAPHICS WORKING TOOL', , 7(1), pp. -.
. THE DESIGN, MODELING AND EVALUATION OF POTENTIAL HIV PROTEASE INHIBITORS USING BLITZ, AN INTERACTIVE COMPUTER GRAPHICS WORKING TOOL. , 1374; 7(1): -.

THE DESIGN, MODELING AND EVALUATION OF POTENTIAL HIV PROTEASE INHIBITORS USING BLITZ, AN INTERACTIVE COMPUTER GRAPHICS WORKING TOOL

Journal of Sciences, Islamic Republic of Iran
مقاله 2، دوره 7، شماره 1، خرداد 1996    اصل مقاله (728.48 K)
چکیده
Several nonpeptide small molecules were designed as potential inhibitors of
HIV protease and their structures were constructed by computer-aided
molecular modeling and docked iwo the active site of HIV protease. Models of
the complexes of inhibitors and the HIV protease were refined using nonbonded
and H-bonding terms. The refined energy of selected complexes
showed that the designed inhibitors fitted tightly into the active site of receptor
cavity. The structure of the designed inhibitor (HI-082) was superimposed on
the molecule of haloperidol (which has been reported to have anti-HIV protease
activity) and it was found that they share a number of common structural
features. These results showed that these small nonpeptide molecules interact
strongly with the HIV protease and may therefore inhibit its action in which
case they would be potential anti-AIDS agents
عنوان مقاله [English]
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چکیده [English]
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