Regression analysis on the chemical descriptors of a selected class of DPP4 inhibitors
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 ac...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | text |
| Published: |
Animo Repository
2010
|
| Subjects: | |
| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/6594 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Institution: | De La Salle University |
| id |
oai:animorepository.dlsu.edu.ph:faculty_research-7385 |
|---|---|
| record_format |
eprints |
| spelling |
oai:animorepository.dlsu.edu.ph:faculty_research-73852022-08-08T06:30:11Z Regression analysis on the chemical descriptors of a selected class of DPP4 inhibitors Janairo, Jose Isagani B. Co, Frumencio F. Janairo, Gerardo C. Yu, Derrick Ethelbhert C. 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. 2010-01-01T08:00:00Z text https://animorepository.dlsu.edu.ph/faculty_research/6594 Faculty Research Work Animo Repository CD26 antigen—Inhibitors Chemistry |
| institution |
De La Salle University |
| building |
De La Salle University Library |
| continent |
Asia |
| country |
Philippines Philippines |
| content_provider |
De La Salle University Library |
| collection |
DLSU Institutional Repository |
| topic |
CD26 antigen—Inhibitors Chemistry |
| spellingShingle |
CD26 antigen—Inhibitors Chemistry Janairo, Jose Isagani B. Co, Frumencio F. Janairo, Gerardo C. Yu, Derrick Ethelbhert C. Regression analysis on the chemical descriptors of a selected class of DPP4 inhibitors |
| description |
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. |
| format |
text |
| author |
Janairo, Jose Isagani B. Co, Frumencio F. Janairo, Gerardo C. Yu, Derrick Ethelbhert C. |
| author_facet |
Janairo, Jose Isagani B. Co, Frumencio F. Janairo, Gerardo C. Yu, Derrick Ethelbhert C. |
| author_sort |
Janairo, Jose Isagani B. |
| title |
Regression analysis on the chemical descriptors of a selected class of DPP4 inhibitors |
| title_short |
Regression analysis on the chemical descriptors of a selected class of DPP4 inhibitors |
| title_full |
Regression analysis on the chemical descriptors of a selected class of DPP4 inhibitors |
| title_fullStr |
Regression analysis on the chemical descriptors of a selected class of DPP4 inhibitors |
| title_full_unstemmed |
Regression analysis on the chemical descriptors of a selected class of DPP4 inhibitors |
| title_sort |
regression analysis on the chemical descriptors of a selected class of dpp4 inhibitors |
| publisher |
Animo Repository |
| publishDate |
2010 |
| url |
https://animorepository.dlsu.edu.ph/faculty_research/6594 |
| _version_ |
1767196557310951424 |