Abstract
General suggestions concerning the possibility to interpret the elementary reaction steps in biocatalytic processes, as if proceeding in pseudovacuum of a protein cavity, have been presented. The approach is illustrated by MNDO investigation of the interaction of 1-methyl-1,4-dihydronicotinamide (II) with acetaldehyde or its protonated species Ia and Ib, respectively. The preactivation step Ia → Ib has been shown to accelerate the interconversion of substrate Ib into ethanol and 3-aminocarbonylpyridinium (V) more effectively than a subsequent protonation of the possible 1,6-dihydropyridine intermediate III arising from Ia and II. The opposite reaction path of V with ethanol and ethoxide is also being examined.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Collection of Czechoslovak Chemical Communications
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
