DFT Study, POM Analyses and Molecular Docking of Novel Oxazaphosphinanes: Identification of Antifungal Pharmacophore Site

DFT Study, POM Analyses and Molecular Docking of Novel Oxazaphosphinanes: Identification of Antifungal Pharmacophore Site

A computational Petra/Osiris/Molinspiration/DFT(POM/DFT) based model has been developed for the identification of physico-chemical parameters governing the bioactivity of series of oxazaphosphinanes derivatives 1a-1f containing potential antifungal O,N-pharmacophore. Molecular docking study was perf...

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Bibliographic Details
Main Authors: Khadidja Otmane Rachedi, Rania Bahadi, Mohamed Aissaoui, Taibi Ben Hadda, Billel Belhani, Abdeslem Bouzina, Malika Berredjem
Format: Article
Language:English
Published: Department of Chemistry, Universitas Gadjah Mada 2020-03-01
Series:Indonesian Journal of Chemistry
Subjects:
oxazaphosphinane
dft
petra/osiris/molinspiration (pom) analyses
molecular docking
Online Access:https://jurnal.ugm.ac.id/ijc/article/view/46375

Internet

https://jurnal.ugm.ac.id/ijc/article/view/46375

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