Computational Medicinal Chemistry Group

Publications

5. "Structure-Based Identification of Compounds with Potential as Selective BLT1 Antagonists." Alkhodier RA, Alshamrani SA, Almutlaq OS, Alshammari MD. Sci. Rep. 2026, 1675. DOI: 10.1038/s41598-025-31192-x

4. "Structure-Based Discovery of Orthosteric Non-Peptide GLP-1R Agonists via Integrated Virtual Screening and Molecular Dynamics." Alturki MS, Alkhodier RA, Gomaa MS, Hussein DA, Tawfeeq N, Al Khzem AH, Pottoo FH, Albugami SA, Aldawsari MF, Rants’o TA. 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 RH, Ali R, Alsharidah A, Huwaizi S, Alkhodier RA, Almogren AS, Alzomia BA, 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 RA, Mishra SK, Doerksen RJ, Colby DA. 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 HR, Han C, Alkhodier RA, Adam AT, Islam B, Colby DA. ChemComm. 2022, 58, 5490–5493. DOI: 10.1039/D2CC01518H