Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2023 Feb;20(2):e202200909.
doi: 10.1002/cbdv.202200909. Epub 2023 Jan 10.

Evaluating Khaya senegalensis for Dipeptidyl Peptidase-IV Inhibition Using in Vitro Analysis and Molecular Dynamic Simulation of Identified Bioactive Compounds

Victoria Ojonogecha Idoko  1 , Mohammed Aliyu Sulaiman  1   2 , Rahma Muhammad Adamu  3 , Aliyu Dantani Abdullahi  1 , Nasir Tajuddeen  4 , Aminu Mohammed  1 , Hajiya Mairo Inuwa  1 , Mohammed Auwal Ibrahim  1
Affiliations

Evaluating Khaya senegalensis for Dipeptidyl Peptidase-IV Inhibition Using in Vitro Analysis and Molecular Dynamic Simulation of Identified Bioactive Compounds

Victoria Ojonogecha Idoko et al. Chem Biodivers. 2023 Feb.

Abstract

The dipeptidyl peptidase-IV (DPP-IV) inhibitory activity of Khaya senegalensis extracts was evaluated. The DPP-IV from a rat kidney was purified to a purification fold of 2.3. Among extracts from K. senegalensis, the hexane extract had the best DPP-IV inhibitory activity, with IC50 value of 1.56±0.61 μg/mL and was fractionated to eleven fractions (A-K). Fraction I had the best DPP-IV inhibition via uncompetitive pattern. GC-MS analysis of fraction I showed that the major bioactive compounds were 3-amino-3-hydroxyimino-N-phenylpropanamide (1) and 11-(2-cyclopenten-1-yl)undecanoic acid (2), with good binding affinities toward DPP-IV, based on molecular docking,. They were then subjected to molecular dynamic simulation using WEBGRO and utilizing a GROMACS system for 100 ns. The 3-amino-3-hydroxyimino-N-phenylpropanamide-DPP-IV complex was more stable and compact than the other complex. K. senegalensis contains compounds like 1 that might be used for the design of new DPP-IV inhibitors.

Keywords: Khaya senegalensis; Meliaceae; Type 2 diabetes; dipeptidyl peptidase IV; molecular docking.

PubMed Disclaimer

References

    1. M. J. Meneses, B. M. Silva, M. Sousa, R. Sa, P. F. Oliveira, M. G. Alves, ‘Antidiabetic drugs: mechanisms of action and potential outcomes on cellular metabolism’, Curr. Pharm. Des. 2015, 21, 3606-3620.
    1. N. H. Cho, J. Shaw, S. Karuranga, Y. Huang, J. da Rocha Fernandes, A. Ohlrogge, B. Malanda, ‘IDF Diabetes Atlas: Global estimates of diabetes prevalence for 2017 and projections for 2045’, Diabetes Res. Clin. Pract. 2018, 138, 271-281.
    1. J. Salas-Salvadó, M. Martinez-Gonzalez, M. Bulló, E. Ros, ‘The role of diet in the prevention of type 2 diabetes’, Nutr. Metab. Cardiovasc. Dis. 2011, 21, B32-B48.
    1. M. A. Ibrahim, A. Abdulkadir, A. Onojah, L. Sani, A. Adamu, H. Abdullahi, ‘Modulation of sialic acid levels among some organs during insulin resistance or hyperglycemic states’, Mol. Cell. Biochem. 2016, 411, 235-239.
    1. A.-M. Lambeir, C. Durinx, S. Scharpé, I. De Meester, ‘ Dipeptidyl-peptidase IV from bench to bedside: an update on structural properties, functions, and clinical aspects of the enzyme DPP IV’, Crit. Rev. Clin. Lab. Sci. 2003, 40, 209-294.

MeSH terms

Substances

LinkOut - more resources