| Title : Structure based virtual screening of MDPI database: Discovery of structurally diverse and novel DPP-IV inhibitors - Tanwar_2014_Bioorg.Med.Chem.Lett_24_3447 |
| Author(s) : Tanwar O , Tanwar L , Shaquiquzzaman M , Alam MM , Akhter M |
| Ref : Bioorganic & Medicinal Chemistry Lett , 24 :3447 , 2014 |
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Abstract :
Inhibition of dipeptidyl peptidase IV (DPP-IV) has been emerged as a promising approach for the treatment of type 2 diabetes (T2D). Structure based virtual screening (SBVS) of Molecular Diversity Preservation International (MDPI) database was performed using Glide and Gold against DPP-IV enzyme. Six promising hits were identified and tested for DPP-IV inhibition. Three compounds were found to be active at low micromolar concentration. The 3-(1-hydrazinyl-1-(phenylamino)ethyl)-4-hydroxy-1-methylquinolin-2(1H)-one (compound A) was found to be the most potent hit with an IC50 of 0.73muM. These three compounds (A, B and D) were then assessed for their glucose lowering effects in glucose fed hyperglycemic female Wistar rats. The glucose lowering effects of compounds also confirms their potential as anti-diabetic agents. The present study demonstrates a successful utilization of in silico SBVS tools in identification of novel and potential DPP-IV inhibitor. |
| PubMedSearch : Tanwar_2014_Bioorg.Med.Chem.Lett_24_3447 |
| PubMedID: 24948564 |
Tanwar O, Tanwar L, Shaquiquzzaman M, Alam MM, Akhter M (2014)
Structure based virtual screening of MDPI database: Discovery of structurally diverse and novel DPP-IV inhibitors
Bioorganic & Medicinal Chemistry Lett
24 :3447
Tanwar O, Tanwar L, Shaquiquzzaman M, Alam MM, Akhter M (2014)
Bioorganic & Medicinal Chemistry Lett
24 :3447