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Year | Number of Results |
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2022 | 4 |
2023 | 5 |
2024 | 0 |
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Page 1
Machine learning and molecular simulation ascertain antimicrobial peptide against Klebsiella pneumoniae from public database.
Comput Biol Chem. 2023 Feb;102:107800. doi: 10.1016/j.compbiolchem.2022.107800. Epub 2022 Dec 5.
Comput Biol Chem. 2023.
PMID: 36516617
In silico prediction of potential inhibitors for SARS-CoV-2 Omicron variant using molecular docking and dynamics simulation-based drug repurposing.
Mohamed EAR, Abdel-Rahman IM, Zaki MEA, Al-Khdhairawi A, Abdelhamid MM, Alqaisi AM, Rahim LBA, Abu-Hussein B, El-Sheikh AAK, Abdelwahab SF, Hassan HA.
Mohamed EAR, et al. Among authors: al khdhairawi a.
J Mol Model. 2023 Feb 20;29(3):70. doi: 10.1007/s00894-023-05457-z.
J Mol Model. 2023.
PMID: 36808314
Free PMC article.
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Exploring the therapeutic potential of galidesivir analogs against Zaire ebolavirus protein 24 (V24): database screening, molecular docking, drug-relevant property evaluation and molecular dynamics simulations.
Hassan HA, Abdelwahab SF, Al-Khdhairawi A, Al Zrkani MK, Rehman HM, Abdel-Rahman IM, El-Sheikh AAK, Abdelhamid MM.
Hassan HA, et al. Among authors: al khdhairawi a.
J Biomol Struct Dyn. 2023 Jul 21:1-11. doi: 10.1080/07391102.2023.2236720. Online ahead of print.
J Biomol Struct Dyn. 2023.
PMID: 37477257
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Unraveling effective extracellular signal-regulated kinase 2 inhibitors: a de novo drug design strategy enhanced by in-depth in silico analyses.
Hassan HA, Muhammed SS, Al-Khdhairawi A, Abdelwahab SF, Abdel-Rahman IM, Abdelhamid MM.
Hassan HA, et al. Among authors: al khdhairawi a.
J Biomol Struct Dyn. 2023 Aug 16:1-11. doi: 10.1080/07391102.2023.2246563. Online ahead of print.
J Biomol Struct Dyn. 2023.
PMID: 37584104
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Conducting the RBD of SARS-CoV-2 Omicron Variant with Phytoconstituents from Euphorbia dendroides to Repudiate the Binding of Spike Glycoprotein Using Computational Molecular Search and Simulation Approach.
Hassan HA, Hassan AR, Mohamed EAR, Al-Khdhairawi A, Karkashan A, Attar R, Allemailem KS, Al Abdulmonem W, Shimizu K, Abdel-Rahman IAM, Allam AE.
Hassan HA, et al. Among authors: al khdhairawi a.
Molecules. 2022 May 4;27(9):2929. doi: 10.3390/molecules27092929.
Molecules. 2022.
PMID: 35566281
Free PMC article.
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Targeting Natural Plant Metabolites for Hunting SARS-CoV-2 Omicron BA.1 Variant Inhibitors: Extraction, Molecular Docking, Molecular Dynamics, and Physicochemical Properties Study.
Hassan HA, Hassan AR, Mohamed EAR, Al-Khdhairawi A, Taha HE, El-Tantawy HM, Abdel-Rahman IAM, Raslan AE, Allemailem KS, Almatroudi A, Alrumaihi F, Alshiekheid MA, Rehman HM, Abdelhamid MM, Abdel-Rahman IM, Allam AE.
Hassan HA, et al. Among authors: al khdhairawi a.
Curr Issues Mol Biol. 2022 Oct 19;44(10):5028-5047. doi: 10.3390/cimb44100342.
Curr Issues Mol Biol. 2022.
PMID: 36286057
Free PMC article.
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Elucidating novel antibacterial compounds from the NPASS database against the FimH lectin domain for the treatment of urinary tract infections: an in-silico study.
Al-Zrkani MK, Abdulkareem RA, Al-Fahad D, Al Shouber M, Nasr AMS, Al-Khdhairawi A.
Al-Zrkani MK, et al. Among authors: al khdhairawi a.
J Biomol Struct Dyn. 2023 Jun;41(9):3914-3925. doi: 10.1080/07391102.2022.2059009. Epub 2022 Apr 9.
J Biomol Struct Dyn. 2023.
PMID: 35403563
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