Current Issue : January-March Volume : 2012 Issue Number : 1 Articles : 2 Articles
Present investigation present docking studies on 4-(4-butyl-3-(cyclohexyl(hydroxyl)methyl-2,5-dioxo-1,4,9-triazaspiro[5,5]undecan-9-yl)methyl)phenoxy)benzoic acid emerged as noval antiretroviral drug candidate. Docking studies reveals that said drug candidate bind to CCR5 polypeptide protein by hydrogen bonding. In addition, existence of spiro centre played crucial role in drug peptide interaction....
Pathogenic infections caused by Streptococcus pneumoniae (pneumococcus) is the major reason of 1.5 million deaths annually across the world. In the present investigation we are reporting the probable binding mechanism of Dextro form of floxacin to interact with pneumococcal cell wall-degrading virulence factors. Docking studies were used to scrutinize the mechanism of Dextrofloxacin that could attached through this protein to the cell wall, and inhibit the cell wall-degrading activity of LytA. Docking analysis divulge that dextro form of ofloxacin actively involved in drug receptor interactions. It reacts with amino acid residues TrpB220 and TrpB228 of pneumococcal autolysin (LytA) choline binding domain by Arene cation interactions...
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