Article Per Year (5 Year)
p-Index From 2021 - 2026
0
P-Index
This Author published in this journals
All Journal Indonesian Journal of Chemistry
Rania Bahadi
Laboratory of Applied Organic Chemistry LCOA, Synthesis of Biomolecules and Molecular Modeling Group, Badji-Mokhtar - Annaba University, Box 12, 23000 Annaba, Algeria
Chemical Engineering, Chemistry & Bioengineering Chemistry

Published : 1 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 1 Documents
Search

 1 
DFT Study, POM Analyses and Molecular Docking of Novel Oxazaphosphinanes: Identification of Antifungal Pharmacophore Site Khadidja Otmane Rachedi; Rania Bahadi; Mohamed Aissaoui; Taibi Ben Hadda; Billel Belhani; Abdeslem Bouzina; Malika Berredjem
Indonesian Journal of Chemistry Vol 20, No 2 (2020)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (16.343 KB) | DOI: 10.22146/ijc.46375

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.
Co-Authors Abdeslem Bouzina Billel Belhani Khadidja Otmane Rachedi Malika Berredjem Mohamed Aissaoui Taibi Ben Hadda