Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies

作者：Taha Muhammad^*; Ismail Nor Hadiani; Ali Muhammad; Rashid Umer; Imran Syahrul; Uddin Nizam; Khan Khalid Mohammed

来源：Bioorganic Chemistry, 2017, 71: 192-200.

DOI：10.1016/j.bioorg.2017.02.005

• Quinolinyl-oxadiazole
• Antileishmanial
• Docking study
• Molecular hybridization

The high potential of quinoline containing natural products and their derivatives in medicinal chemistry led us to discover a novel series of compounds 6-23 based on the concept of molecular hybridization. Most of the synthesized analogues exhibited potent leishmanicidal potential. The most potent compound (23, IC50 = 0.10 +/- 0.001 mu M) among the series was found similar to 70 times more lethal than the standard drug. The current series 6-23 conceded in the development of fourteen (14) extraordinarily active compounds against leishmaniasis. In silico analysis were also performed to probe the mode of action while all the compounds structure were established by NMR and Mass spectral analysis.

• 出版日期2017-4