In silico and in vitro screening to identify structurally diverse non-azole CYP51 inhibitors as potent antifungal agent
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- 作者：Aarti Singh ; Sarvesh Kumar Paliwal ; paliwalsarvesh@yahoo.com" class="auth_mail" title="E-mail the corresponding author ; Mukta Sharma ; Anupama Mittal ; Swapnil Sharma ; Jai Prakash Sharma
- 关键词：Non-azoles ; Ligand based pharmacophore modeling ; Virtual screening ; Molecular docking
- 刊名：Journal of Molecular Graphics and Modelling
- 出版年：2016
- 出版时间：January 2016
- 年：2016
- 卷：63
- 期：Complete
- 页码：1-7
- 全文大小：1710 K
文摘
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Due to resistance to azoles there is desperate need of non-azole antifungal agents.
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A predictive pharmacophore model of CYP 51 inhibitors has been developed.
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The validated pharmacophore has been used to mine the chemical compound database.
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Docking and antimicrobial assay confirmed the potency of NSC 1215 and 1520 compound.
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The permeation study of NSC 1215 and 1520 revealed their high absorption capability.