title: A QSAR study on a series of pyrrole derivatives acting as lymphocyte-specific kinase (Lck) inhibitors.
abstract: A quantitative structure-activity relationship (QSAR) study has been made on a novel series of pyrrole derivatives acting as lymphocyte-specific kinase (Lck) inhibitors. The Lck inhibition activity of compounds is found to be significantly correlated with their molar volume (MV) and surface tension (ST) and the hydrophobic constant of one of their substituents. Both the molar properties MV and ST of the compounds are found to have the negative effect but the hydrophobic property of R(2)-substituen is found to have the positive effect. This leads to suggest that the bulky molecules and the those with high surface tension will not be advantageous to the Lck inhibition, rather their R(2)-substituent with hydrophobic property will be conducive to the activity.
authors.affiliation: Department of Pharmaceutical Technology, Meerut Institute of Engineering and Technology, Meerut-250005, India.
authors.forename: Zaihra
authors.initials: Z
authors.lastname: Anwer
authors.forename: Satya P
authors.initials: SP
authors.lastname: Gupta
mesh_terms: D004789:Enzyme Activation / Q000187:drug effects; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D020128:Inhibitory Concentration 50; D019860:Lymphocyte Specific Protein Tyrosine Kinase p56(lck) / Q000037:antagonists & inhibitors* / Q000378:metabolism; D008214:Lymphocytes / Q000187:drug effects / Q000201:enzymology*; D015394:Molecular Structure; D011758:Pyrroles / Q000737:chemistry* / Q000494:pharmacology; D021281:Quantitative Structure-Activity Relationship
chemical_list: D004791:Enzyme Inhibitors; D011758:Pyrroles; D019860:Lymphocyte Specific Protein Tyrosine Kinase p56(lck)