Exploring clotrimazole-based pharmacophore: 3D-QSAR studies and synthesis of novel antiplasmodial agents. Issue 22 (15th November 2015)

• Record Type: Journal Article
• Authors: Brogi, Simone; Brindisi, Margherita; Joshi, Bhupendra P.; Sanna Coccone, Salvatore; Parapini, Silvia; Basilico, Nicoletta; Novellino, Ettore; Campiani, Giuseppe; Gemma, Sandra; Butini, Stefania
• Is Part Of: Bioorganic & medicinal chemistry letters. Volume 25:Issue 22(2015)
• Page Start: 5412
• Page End: 5418
• Publication Date: 2015-11-15
• Subjects: Malaria -- Plasmodium falciparum -- Clotrimazole -- 3D-QSAR -- Ligand-based; Bioorganic chemistry -- Periodicals; Pharmaceutical chemistry -- Periodicals; 572
• DOI: 10.1016/j.bmcl.2015.09.007
• Languages: English
• ISSNs: 0960-894X

Abstract

Graphical abstract: Abstract: We report herein the generation and validation of a 3D-QSAR model based on a set of antimalarials previously described by us and characterized by a clotrimazole-based pharmacophore. A novel series of derivatives was synthesized and showed activity against Plasmodium falciparum chloroquine-sensitive (CQ-S) and chloroquine-resistant (CQ-R) strains. Gratifyingly, compounds35a –c showed interesting activity against P. falciparum CQ-R strains with improved predicted physico-chemical properties.