Identification of new anti-Candida compounds by ligand-based pharmacophore virtual screening

被引：19
|
作者：
Gidaro, Maria Concetta [1 ]
Alcaro, Stefano [1 ]
Secci, Daniela [2 ]
Rivanera, Daniela [3 ]
Mollica, Adriano [4 ]
Agamennone, Mariangela [4 ]
Giampietro, Letizia [4 ]
Carradori, Simone [4 ]
机构：
[1] Magna Graecia Univ Catanzaro, Dipartimento Sci Salute, Campus Univ S Venuta, Catanzaro, Italy
[2] Sapienza Univ Roma, Dipartimento Chim & Tecnol Farmaco, Rome, Italy
[3] Sapienza Univ Rome, Dipartimento Sanita Pubbl & Malattie Infett, Rome, Italy
[4] G DAnnunzio Univ Chieti Pescara, Dept Pharm, Via Vestini 31, I-66100 Chieti, Italy
来源：
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY | 2016年 / 31卷 / 06期
关键词：
Candida; coumarin; ligand-based approach; (thiazol-2-yl) hydrazines; virtual screening; BIOLOGICAL EVALUATION; COUMARIN DERIVATIVES; ANTIFUNGAL ACTIVITY; ANTIMICROBIAL AGENTS; ESSENTIAL OIL; B INHIBITORS; CANDIDA; DESIGN; CYTOTOXICITY; SCAFFOLD;
D O I：
10.3109/14756366.2016.1156103
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
Candida albicans represents the most prevalent microbial population in mucosal and systemic infections, usually confined to severely immunocompromised people. Considering the increase of resistant strains and the demand for new antifungal drugs endowed with innovative mechanism of action, we performed a ligand-based virtual screening in order to identify new anti-Candida compounds. Starting from a large library of natural/semisynthetic products and several published synthesized compounds, three coumarin derivatives were discovered in silico as new hit compounds and submitted to the in vitro assay in order to confirm their predicted biological activity.
引用
收藏
页码：1703 / 1706
页数：4
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