Publications by authors named "Said Byadi"

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Predictive modeling of visible-light azo-photoswitches' properties using structural features.
Said Byadi, P K Hashim, Pavel Sidorov

J Cheminform· April 2025

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Discovery of a new Bcl-2 inhibitor through synthesis, anticancer activity, docking and MD simulations.
Said Byadi, Bimoussa Abdoullah, Mourad Fawzi, Ezaddine Irrou, Younesse Ait Elmachkouri

J Biomol Struct Dyn· May 2024

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In silico discovery of novel inhibitors from Northern African natural products database against main protease (Mpro) of SARS-CoV-2.
Said Byadi, Domen Oblak, Yassine Kassmi, Karima Sadik, Mouhi Eddine Hachim

J Biomol Struct Dyn· April 2023

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Chemical profiling, cytotoxic activities through apoptosis induction in human fibrosarcoma and carcinoma cells, and molecular docking of some 1,2,3-triazole-isoxazoline hybrids using the eugenol as a precursors.
Ali Oubella, Abdelmaoujoud Taia, Said Byadi, Marouane Ait Lahcen, Abdoullah Bimoussa

J Biomol Struct Dyn· April 2023

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Cytotoxic and apoptotic effects of some (R)-carvone-isoxazoline derivatives on human fibrosarcoma and carcinoma cells: experimental evaluation for cytotoxicity, molecular docking and molecular dynamics studies.
Ali Oubella, Abdoullah Bimoussa, Said Byadi, Yassine Laamari, Mourad Fawzi

J Biomol Struct Dyn· March 2023

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Newly synthesized (R)-carvone-derived 1,2,3-triazoles: structural, mechanistic, cytotoxic and molecular docking studies.
Mouhi Eddine Hachim, Ali Oubella, Said Byadi, Mourad Fawzi, Yassine Laamari

J Biomol Struct Dyn· October 2022

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Novel isoxazoline-linked 1,3,4-thiadiazole hybrids as anticancer agents: Design, synthesis, biological evaluation, molecular docking, and molecular dynamics simulation.
Ali Oubella, Said Byadi, Abdoullah Bimoussa, Mourad Fawzi, Aziz Auhmani

Arch Pharm (Weinheim)· September 2022

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Corrosion inhibition performance of azelaic acid dihydrazide: a molecular dynamics and Monte Carlo simulation study.
Matine Abdelmalek, Ali Barhoumi, Said Byadi, Mohammed El Idrissi, Mohammed Salah

J Mol Model· October 2021

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Electronic investigation and spectroscopic analysis using DFT with the long-range dispersion correction on the six lowest conformers of 2.2.3-trimethyl pentane.
Mouhi Eddine Hachim, Karima Sadik, Said Byadi, Aziz Aboulmouhajir

J Mol Model· June 2020

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Ab initio study on the six lowest energy conformers of iso-octane: conformational stability, barriers to internal rotation, natural bond orbital and first-order hyperpolarizability analyses, UV and NMR predictions, spectral temperature sensitivity, and scaled vibrational assignment.
Mouhi Eddine Hachim, Karima Sadik, Said Byadi, Christian Van Alsenoy, Aziz Aboulmouhajir

J Mol Model· July 2019

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