In:
Indonesian Journal of Chemistry, Universitas Gadjah Mada, Vol. 20, No. 2 ( 2020-03-02), p. 440-
Abstract:
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 performed in order to evaluate synthesized compounds their possible antifungal properties and their interactions in the binding site. Molecular docking studies revealed that the compounds 1a-1f have the potential to become lead molecules in the drug discovery process. The six compounds 1a–1f analyzed here were previously synthesized by our group.
Type of Medium:
Online Resource
ISSN:
2460-1578
,
1411-9420
Language:
Unknown
Publisher:
Universitas Gadjah Mada
Publication Date:
2020
detail.hit.zdb_id:
3069950-2
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