About the Research
Research Theme
Chemical modeling in new chemical reaction and drug design and discovery
Keyword
Artificial inteligence, chemical database, QSAR, molecular docking and dynamics.
Research Outline
My research has been focused on exploration and analysis of chemical databases and studying the interactions between small organic molecules, small organic molecules and proteins, and small organics molecules and surfaces by using quantitative structure-property relationships, pharmacophore modeling, molecular docking and molecular dynamics approaches.
Representative Research Achievements
- In silico discovery of novel inhibitors from Northern African natural products database against main protease (Mpro) of SARS-CoV-2
Byadi, Said; Oblak, Domen; Kassmi, Yassine; Sadik, Karima; Hachim, Mouhi Eddine; Podlipnik, Črtomir; Aboulmouhajir, Aziz. Journal of Biomolecular Structure and Dynamics, 2023, 41, 7, 2900-2910.
DOI: 10.1080/07391102.2022.2040594 - Byadi, Said; Aboulmouhajir, Aziz; Podlipnik, Črtomir. QSAR approach for combating cancer cells. In Oncogenic Viruses; Moulay Mustapha Ennaji, Eds; Academic Press, 2023; 267-280.
DOI: 10.1016/B978-0-12-824156-1.00014-5 - Discovery of a new Bcl-2 inhibitor through synthesis, anticancer activity, docking and MD simulation
Byadi, Said; Abdoullah, Bimoussa; Fawzi, Mourad; Irrou, Ezaddine; Ait Elmachkouri, Younesse; Oubella, Ali; Auhmani, Aziz; Morjani, Hamid; Labd Taha, Mohamed; Robert, Anthony. Journal of Biomolecular Structure and Dynamics, 2023, 1-10.
DOI: 10.1080/07391102.2023.2218934 - Discovery of a New Mcl‐1 Protein Inhibitor through the QSAR Approach and Molecular Docking Study
Byadi, Said; Sadik, Karima; Hachim, Mouhi Eddine; Daoudi, Mohamed; Podlipnik, Črtomir; Aboulmouhajir, Aziz. Advanced Theory and Simulations, 2022, 2100590.
DOI: 10.1002/adts.202100590 - Fingerprint-based 2D-QSAR models for predicting Bcl-2 inhibitors affinity
Byadi, Said; Eddine, Hachim M; Sadik, Karima; Podlipnik, Črtomir; Aboulmouhajir, Aziz. Letters in Drug Design & Discovery, 2020,17,10,1206-1215.
DOI: 10.2174/1570180817999200414155403