Abstract
AbstractBased on the distance between atoms and the electro‐negativity of each atom, a new set of descriptors called the molecular electronegativity edge vector (VMEE) being applied to de scribe the molecular structure of peptide analogues, is proposed only from the primary structure of peptides. Here several quantitative structure activity relationship models are proposed on the biological activity of 58 angiotensin converting enzyme (ACE) inhibitors and of 47 bitter tasting dipeptides by multiple linear regression method. The results show that the novel molecular electronegativity edge vector (VMEE) has both excellent structural selectivity and good activity estimation. Besides, this novel molecular electronegative edge vector, be cause it is easy to calculate, will be useful in structure characterization and activity prediction of biological molecules.
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 callDisclaimer: 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.
