Naslov
Enantioselectivity of Burkholderia cepacia lipase towards primary and secondary alcohols: molecular modelling and 3D QSAR analysis

Autori
Tomić, Sanja

Vrsta, podvrsta i kategorija rada
Poglavlja u knjigama, znanstveni

Knjiga
Designing drugs and crop protectants: processes, problems and solutions

Urednik/ci
M. Ford, D. Livingstone, J. Dearden, H. van de Waterbeemd

Izdavač
Wiley-Blackwell

Grad
Oxford

Godina
2003

Raspon stranica
326-328

ISBN
1-4051-2516-0

Ključne riječi
lipase, COMBINE analysis, enantioselectivity, QSAR

Sažetak
Because of their broad substrate specificity and high enantioselectivity, microbial lipases are important targets for exploitation as biocatalysts. The aim of this study was to elucidate lipase-catalysed reactions at the sub-molecular level in order to improve their application in syntheses of enantiomerically pure products. We performed a detailed molecular modelling on complexes of tetrahedral intermediates (TIs) of six primary and seventeen secondary alcohols (all with an aromatic ring) with Burkholderia cepacia lipase (BCL) in the reaction of esterification, for which experimental measurements were available. For secondary alcohols R = substituted phenyl ring, X = OH, X1 = OAc, Y = Y1 = OAc and for primary alcohols R = an aryl ring, X = X1 = CH3, Y = OH, Y1 = OAc.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Biologija

POVEZANOST RADA