Title : In-silico designing of a potent analogue against HIV-1 Nef protein and protease by predicting its interaction network with host cell proteins.

Pub. Date : 2013 Jan

PMID : 23559827






1 Functional Relationships(s)
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1 After extensive and controlled in silico analysis it has been observed that the analogue LOPI1 binds to Nef protein (2NEF) at CD4 interacting site residues giving minimum binding energy of -7.68 Kcal/mole, low Ki value of 2.34 muM, maximum number of hydrogen bonds (8), good absorption, distribution, metabolism and excretion properties, and less toxicity in comparison with the standard Lopinavir against HIV1 protease (1HPV). Lopinavir CD4 molecule Homo sapiens