| Autor: |
Olusola Olalekan Elekofehinti, Oluwamodupe Cecilia Ejelonu, Jean Paul Kamdem, Oluwaseun Benedicta Akinlosotu, Ayodeji Famuti, Damilare Desmond Adebowale, Opeyemi Iwaloye, Yetunde Irinyemi Bulu, Ige Joseph Kade, Joao Batista Teixeira Rocha |
| Jazyk: |
angličtina |
| Rok vydání: |
2018 |
| Předmět: |
|
| Zdroj: |
Beni-Suef University Journal of Basic and Applied Sciences, Vol 7, Iss 2, Pp 241-249 (2018) |
| Druh dokumentu: |
article |
| ISSN: |
2314-8535 |
| DOI: |
10.1016/j.bjbas.2018.02.007 |
| Popis: |
Visfatin (Nicotinamide phosphoribosyltransferase) is an adipokine implicated in mediating insulin resistance and exhibiting insulin mimetic effect and therefore represents a druggable target for diabetes therapy. About 3,844 peroxisome proliferator activated receptor gamma (PPARγ) agonists documented in Chembl database were docked with PPARγ and those with binding energy of >−9 kcal/mol having experimental EC50 of 0.1 to 1 nM were selected. The candidate compounds (27) were thereafter docked with visfatin (PDB ID: 4WQ6) using AutodockVina out of which eight compounds that ranked highest in binding energy (when compared with the co-crystallized ligand of visfatin: 3TQ) were selected. Compound 25 exhibited favorable ligand-protein molecular interaction and respected Lipinski’s rule of five and interestingly from the absorption, distribution, metabolism and excretion (ADME)-Toxicity analysis the compound have enhanced pharmacological properties than the current ligand of visfatin. Keywords: Nicotinamide phosphoribosyltransferase, Visfatin molecular docking, Type 2 diabetes, Adipokines |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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