Computational Medicinal Chemistry Group
Publications
4. "Structure-Based Discovery of Orthosteric Non-Peptide GLP-1R Agonists via Integrated Virtual Screening and Molecular Dynamics." Alturki, M. S.; Alkhodier, R. A.; Gomaa, M. S.; Hussein, D. A.; Tawfeeq, N.; Al Khzem, A. H.; Pottoo, F. H.; Albugami, S. A.; Aldawsari, M. F.; Rants’o, T. A.; Int. J. Mol. Sci. 2025, 26, 6131. DOI: 10.3390/ijms26136131
3. "Discovery of PPAR Alpha Lipid Pathway Modulators That Do Not Bind Directly to the Receptor as Potential Anti-Cancer Compounds." Al Subait, A.; Alghamdi, R. H.; Ali, R.; Alsharidah, A.; Huwaizi, S.; Alkhodier, R. A.; Almogren, A. S.; Alzomia, B. A.; Alaskar, A.; Boudjelal, M. Int. J. Mol. Sci. 2025, 26, 736. DOI: 10.3390/ijms26020736
Graduate Research, University of Mississippi:
2. “Comparison of Conformational Analyses of Naturally Occurring Flavonoid-O-Glycosides with Unnatural Flavonoid-CF2-Glycosides Using Molecular Modeling.” Alkhodier, R. A.; Mishra, S. K.; Doerksen, R. J.; Colby, D. A. J. Chem. Inf. Model. 2023, 63, 375–386. DOI: 10.1021/acs.jcim.2c01147
1. “Generation of Formaldehyde and Formaldehyde-d2 for Hydroxymethylations and Hydroxydeuteromethylations of Difluoroenolates and Difluorobenzyl Carbanion.” Khatri, H. R.; Han, C.; Alkhodier, R. A.; Adam, A. T.; Islam, B.; Colby, D. A. ChemComm. 2022, 58, 5490–5493. DOI: 10.1039/D2CC01518H
