title: QSAR study and the hydrolysis activity prediction of three alkaline lipases from different lipase-producing microorganisms.
abstract: The hydrolysis activities of three alkaline lipases, L-A1, L-A2 and L-A3 secreted by different lipase-producing microorganisms isolated from the Bay of Bohai, P. R. China were characterized with 16 kinds of esters. It was found that all the lipases have the ability to catalyze the hydrolysis of the glycerides, methyl esters, ethyl esters, especially for triglycerides, which shows that they have broad substrate spectra, and this property is very important for them to be used in detergent industry. Three QSAR models were built for L-A1, L-A2 and L-A3 respectively with GFA using Discovery studio 2.1. The models equations 1, 2 and 3 can explain 95.80%, 97.45% and 97.09% of the variances (R(2)(adj)) respectively while they could predict 95.44%, 89.61% and 93.41% of the variances (R(2)(cv)) respectively. With these models the hydrolysis activities of these lipases to mixed esters were predicted and the result showed that the predicted values are in good agreement with the measured values, which indicates that this method can be used as a simple tool to predict the lipase activities for single or mixed esters.
authors.affiliation: Key Laboratory of Industrial Fermentation Microbiology, Ministry of Education, College of Biotechnology, Tianjin University of Science and Technology, Tianjin, 300457, P, R, China.
authors.forename: Haikuan
authors.initials: H
authors.lastname: Wang
authors.forename: Xiaojie
authors.initials: X
authors.lastname: Wang
authors.forename: Xiaolu
authors.initials: X
authors.lastname: Li
authors.forename: Yehong
authors.initials: Y
authors.lastname: Zhang
authors.forename: Yujie
authors.initials: Y
authors.lastname: Dai
authors.forename: Changlu
authors.initials: C
authors.lastname: Guo
authors.forename: Heng
authors.initials: H
authors.lastname: Zheng
mesh_terms: D001419:Bacteria / Q000201:enzymology*; D002384:Catalysis; D002681:China; D004952:Esters / Q000737:chemistry / Q000378:metabolism; D006868:Hydrolysis; D007700:Kinetics; D008049:Lipase / Q000737:chemistry / Q000378:metabolism; D010938:Plant Oils / Q000737:chemistry; D021281:Quantitative Structure-Activity Relationship; D013379:Substrate Specificity; D014280:Triglycerides / Q000737:chemistry / Q000378:metabolism
chemical_list: D004952:Esters; D010938:Plant Oils; D014280:Triglycerides; D008049:Lipase