Exploring clotrimazole-based pharmacophore: 3D-QSAR studies and synthesis of novel antiplasmodial agents
Articolo
Data di Pubblicazione:
2015
Citazione:
Exploring clotrimazole-based pharmacophore: 3D-QSAR studies and synthesis of novel antiplasmodial agents / S. Brogi, M. Brindisi, B.P. Joshi, S. Sanna Coccone, S. Parapini, N. Basilico, E. Novellino, G. Campiani, S. Gemma, S. Butini. - In: BIOORGANIC & MEDICINAL CHEMISTRY LETTERS. - ISSN 0960-894X. - 25:22(2015), pp. 5412-5418. [10.1016/j.bmcl.2015.09.007]
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, compounds 35a-c showed interesting activity against P. falciparum CQ-R strains with improved predicted physico-chemical properties.
Tipologia IRIS:
01 - Articolo su periodico
Keywords:
3D-QSAR; Clotrimazole; Ligand-based; Malaria; Plasmodium falciparum; Antimalarials; Clotrimazole; Ligands; Plasmodium falciparum; Quantitative Structure-Activity Relationship; Drug Design
Elenco autori:
S. Brogi, M. Brindisi, B.P. Joshi, S. Sanna Coccone, S. Parapini, N. Basilico, E. Novellino, G. Campiani, S. Gemma, S. Butini
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