Regression analysis on the chemical descriptors of a selected class of DPP4 inhibitors
College
College of Science
Department/Unit
Physics
Document Type
Article
Source Title
Studies in Mathematical Sciences
Volume
1
Issue
1
First Page
45
Last Page
51
Publication Date
2010
Abstract
The activity of a selected class of DPP4 inhibitors was assessed using quantum-chemical and physical descriptors. Using multiple linear regression model, it was found that ΔE, LUMO energy, dipole, area, volume, molecular weight and ΔH are the significant descriptors that can adequately assess the activity of the compounds. The model suggests that bulky and electrophilic are desired. Furthermore a pair interaction between ΔE and dipole as well as for LUMO energy and dipole were determined. It is expected that the information derived herein will be beneficial for future design and development of DPP4 inhibitors.
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Recommended Citation
Janairo, J. B., Co, F. F., Janairo, G. C., & Yu, D. C. (2010). Regression analysis on the chemical descriptors of a selected class of DPP4 inhibitors. Studies in Mathematical Sciences, 1 (1), 45-51. Retrieved from https://animorepository.dlsu.edu.ph/faculty_research/6594
Disciplines
Chemistry
Keywords
CD26 antigen—Inhibitors
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