| Autor: |
Imran, Muhammad, Javed, Tariq, Jabeen, Asma, Mehnaz, Gul, Ullah, Kalim, Shaheen, Nusrat, Khalid, Sofia, Amirzada, Muhammad Imran, Yameen, Muhammad Arafat, Hasan, SM Farid, Shah, Sajid Hussain, Rauf, Khalid, Schenk, Gary, RossMcGeary, Pieters, Luc, Latif, Muhammad, Al-Kahraman, Yasser MSA, Muhammad Hassham Hassan Bin Asad |
| Zdroj: |
Pakistan Journal of Pharmaceutical Sciences; 2020 Supplement, Vol. 33, p385-392, 8p, 3 Color Photographs, 1 Chart, 3 Graphs |
| Abstrakt: |
Aim of this study was to synthesize new inhibitors on the basis of active site of aspartic protease enzyme and to evaluate their intended biological activity. A3D model of an enzyme was generated via homology modeling and series of novel amide ligands were synthesized by using a short high yield process, subsequently, analyzed in-silico and invitro anti-leishmanial activities. Characterization and identification was accomplished via NMR (H¹ & C13), infrared and mass spectroscopic techniques. Among all compound (4) was found to show significant activity (IC50 58±0.01) against Leishmania major (L. major) species. Furthermore, docking studies confirmed the inhibition of a targeted enzyme that supported the interaction of potent compound (4) with key residues (aspartic protease) via hydrogen bonds. Present study conferred about novel compound (4) as a promising compound to antagonize L. major activities in future. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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