Virtual design of novel Plasmodium falciparum cysteine protease falcipain-2 hybrid lactone-chalcone and isatin-chalcone inhibitors probing the S2 active site pocket

• मुख्य लेखकों: Koffi N'Guessan Placide Gabin Allangba (लेखक), Mélalie Keita (लेखक), Raymond Kre N'Guessan (लेखक), Eugene Megnassan (लेखक), Vladimir Frecer (लेखक), Stanislav Miertus (लेखक)
• स्वरूप: पुस्तक
• प्रकाशित: Taylor & Francis Group, 2019-01-01T00:00:00Z.
• विषय: article
• ऑनलाइन पहुंच: Connect to this object online.

We report computer-aided design of new lactone-chalcone and isatin-chalcone (HLCIC) inhibitors of the falcipain-2 (PfFP-2). 3D models of 15 FP-2:HLCIC1-15 complexes with known observed activity (IC50exp) were prepared to establish a quantitative structure-activity (QSAR) model and linear correlation...