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Discovery of 1-(5-bromopyrazin-2-yl)-1-[3-(trifluoromethyl)benzyl]urea as a promising anticancer drug via synthesis, characterization, biological screening, and computational studies.
Mohammed YHI, Shamkh IM, Alharthi NS, Shanawaz MA, Alzahrani HA, Jabbar B, Beigh S, Alghamdi S, Alsakhen N, Khidir EB, Alhuthali HM, Karamalla THE, Rabie AM. Mohammed YHI, et al. Among authors: alsakhen n. Sci Rep. 2023 Dec 20;13(1):22824. doi: 10.1038/s41598-023-44662-x. Sci Rep. 2023. PMID: 38129413 Free PMC article.
Isoform switching leads to downregulation of cytokine producing genes in estrogen receptor positive breast cancer.
Khan MS, Hanif W, Alsakhen N, Jabbar B, Shamkh IM, Alsaiari AA, Almehmadi M, Alghamdi S, Shakoori A, Al Farraj DA, Almutairi SM, Hussein Issa Mohammed Y, Abouzied AS, Rehman AU, Huwaimel B. Khan MS, et al. Among authors: alsakhen n. Front Genet. 2023 Oct 13;14:1230998. doi: 10.3389/fgene.2023.1230998. eCollection 2023. Front Genet. 2023. PMID: 37900178 Free PMC article.
Computational approach investigation bioactive molecules from Saussurea Costus plant as SARS-CoV-2 main protease inhibitors using reverse docking, molecular dynamics simulation, and pharmacokinetic ADMET parameters.
Hajji H, Alaqarbeh M, Lakhlifi T, Ajana MA, Alsakhen N, Bouachrine M. Hajji H, et al. Among authors: alsakhen n. Comput Biol Med. 2022 Nov;150:106209. doi: 10.1016/j.compbiomed.2022.106209. Epub 2022 Oct 12. Comput Biol Med. 2022. PMID: 36257276 Free PMC article.
In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET profiling.
Bouamrane S, Khaldan A, Hajji H, El-Mernissi R, Alaqarbeh M, Alsakhen N, Maghat H, Ajana MA, Sbai A, Bouachrine M, Lakhlifi T. Bouamrane S, et al. Among authors: alsakhen n. Mol Divers. 2023 Oct;27(5):2111-2132. doi: 10.1007/s11030-022-10546-x. Epub 2022 Oct 14. Mol Divers. 2023. PMID: 36239842
In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular dynamic simulation and ADMET profiling.
Belhassan A, Chtita S, Zaki H, Alaqarbeh M, Alsakhen N, Almohtaseb F, Lakhlifi T, Bouachrine M. Belhassan A, et al. Among authors: alsakhen n. J Mol Struct. 2022 Jun 15;1258:132652. doi: 10.1016/j.molstruc.2022.132652. Epub 2022 Feb 18. J Mol Struct. 2022. PMID: 35194243 Free PMC article.