Inhibitive Property of Catechin and Chlorogenic Acid against Human Pancreatic Lipase: ‎Molecular Docking and Molecular Dynamics Simulation Investigations

Q: How can I download an article?

To download an article from SID, first log in to the site, search for the article title, and click on the 'Download Article' option.

Q: How can I download an ISI article?

To download an ISI article on SID, enter the keyword or article title in the search bar, view the relevant results, click on the desired article, and select the 'Download Article' option.

Q: How can I access the SID database?

To access the SID database, visit SID.ir, create an account, and log in to access scientific resources.

Q: Is downloading articles from SID free?

Some articles on SID are available for free, while others require payment. Details are specified on the article's page.

Ahmed Sikiru Akinyeye; Salau Shina; Khan Alamgir; Saeed Maria; Ul Haq Zaheer

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

Journal Paper

Paper Information

Journal: ADVANCED JOURNAL OF CHEMISTRY, SECTION A Year:2022 | Volume:5 | Issue:3 Page(s): 226-240

Download Full-Text

View:

Download:

Cites:

Information Journal Paper

Title

Inhibitive Property of Catechin and Chlorogenic Acid against Human Pancreatic Lipase: ‎Molecular Docking and Molecular Dynamics Simulation Investigations

Author(s)

Keywords

catechin

In Silico

ADMET

RMSD

Orlistat®

Food and Drug Agency

Abstract

Obesity, a lipid metabolic disorder characterized by excess fat deposition in the adipose tissue, is among the leading top global health challenges. The only Food and Drug Agency (FDA) approved drug (Orlistat®) for its treatment has shown some adverse effects. To find new compounds that may be more effective or with less adverse effects compared to Orlistat®. Catechin and chlorogenic acid were computationally studied using molecular docking and validated with molecular dynamics simulation techniques. The ADMET and drug-likeliness evaluation of the two compounds was carried out in silico. The binding affinities, structural stability, and flexibility vis-a-vis root-mean-square deviation (RMSD) and root-mean-square fluctuations (RMSF) plots, hydrogen bonding, and surface area analysis of the two compounds were compared to the Orlistat®. It was found that the selected two compounds passed Lipinski’s rule of 5 and other parameters expected of a drug. In addition, both catechin and chlorogenic acid exhibited good docking scores, better fit and molecular interactions, good structural stability, and flexibility compared to Orlistat®.

Multimedia

No record.

Cites

No record.

References

No record.

Cite

Related Journal Papers

No record.

Related Seminar Papers

No record.

Related Plans