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Husseiny EM, S Abulkhair H, El-Dydamony NM, Anwer KE. Exploring the cytotoxic effect and CDK-9 inhibition potential of novel sulfaguanidine-based azopyrazolidine-3,5-diones and 3,5-diaminoazopyrazoles. Bioorg Chem 2023;133:106397. [PMID: 36753965 DOI: 10.1016/j.bioorg.2023.106397] [Cited by in Crossref: 1] [Article Influence: 1.0] [Reference Citation Analysis]
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Khayat MT, Ahmed HEA, Omar AM, Muhammad YA, Mohammad KA, Malebari AM, Khayyat AN, Halawa AH, Abulkhair HS, Al-Karmalawy AA, Almaghrabi M, Alharbi M, Aljahdali AS, El-Agrody AM. A novel class of phenylpyrazolone-sulphonamides rigid synthetic anticancer molecules selectively inhibit the isoform IX of carbonic anhydrases guided by molecular docking and orbital analyses. J Biomol Struct Dyn 2023;:1-19. [PMID: 36914238 DOI: 10.1080/07391102.2023.2188957] [Reference Citation Analysis]
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Zala AR, Rajani DP, Ahmad I, Patel H, Kumari P. Synthesis, characterization, molecular dynamic simulation, and biological assessment of cinnamates linked to imidazole/benzimidazole as a CYP51 inhibitor. J Biomol Struct Dyn 2023;:1-17. [PMID: 36691770 DOI: 10.1080/07391102.2023.2170918] [Reference Citation Analysis]
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Musa A, Ihmaid SK, Hughes DL, Said MA, Abulkhair HS, El-Ghorab AH, Abdelgawad MA, Shalaby K, Shaker ME, Alharbi KS, Alotaibi NH, Kays DL, Taylor LJ, Parambi DGT, Alzarea SI, Al-Karmalawy AA, Ahmed HEA, El-Agrody AM. The anticancer and EGFR-TK/CDK-9 dual inhibitory potentials of new synthetic pyranopyrazole and pyrazolone derivatives: X-ray crystallography, in vitro, and in silico mechanistic investigations. J Biomol Struct Dyn 2023;:1-15. [PMID: 36661285 DOI: 10.1080/07391102.2023.2167000] [Reference Citation Analysis]
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Malebari AM, E A Ahmed H, Ihmaid SK, Omar AM, Muhammad YA, Althagfan SS, Aljuhani N, A A El-Sayed AA, Halawa AH, El-Tahir HM, Turkistani SA, Almaghrabi M, K B Aljohani A, El-Agrody AM, Abulkhair HS. Exploring the dual effect of novel 1,4-diarylpyranopyrazoles as antiviral and anti-inflammatory for the management of SARS-CoV-2 and associated inflammatory symptoms. Bioorg Chem 2023;130:106255. [PMID: 36403336 DOI: 10.1016/j.bioorg.2022.106255] [Reference Citation Analysis]
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Patel KB, Mukherjee S, Bhatt H, Rajani D, Ahmad I, Patel H, Kumari P. Synthesis, docking, and biological investigations of new coumarin-piperazine hybrids as potential antibacterial and anticancer agents. Journal of Molecular Structure 2022. [DOI: 10.1016/j.molstruc.2022.134755] [Reference Citation Analysis]
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Abd-Alla HI, Kutkat O, Sweelam HM, Eldehna WM, Mostafa MA, Ibrahim MT, Moatasim Y, GabAllah M, Al-Karmalawy AA. Investigating the Potential Anti-SARS-CoV-2 and Anti-MERS-CoV Activities of Yellow Necklacepod among Three Selected Medicinal Plants: Extraction, Isolation, Identification, In Vitro, Modes of Action, and Molecular Docking Studies. Metabolites 2022;12. [PMID: 36422249 DOI: 10.3390/metabo12111109] [Cited by in Crossref: 1] [Article Influence: 1.0] [Reference Citation Analysis]
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Agwupuye JA, Louis H, Gber TE, Ahmad I, Agwamba EC, Samuel AB, Ejiako EJ, Patel H, Ita IT, Bassey VM. Molecular modeling and DFT Studies of Diazenylphenyl derivatives as a Potential HBV and HCV Antiviral Agents. Chemical Physics Impact 2022. [DOI: 10.1016/j.chphi.2022.100122] [Reference Citation Analysis]
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Pyrlin S, Lenzi V, Silva A, Ramos M, Marques L. Adhesion of Bis-Salphen-Based Coordination Polymers to Graphene: Insights from Free Energy Perturbation Study. Polymers 2022;14:4525. [DOI: 10.3390/polym14214525] [Reference Citation Analysis]
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Madbouly EA, Lashine EM, Al-karmalawy AA, Sebaiy MM, Pratsinis H, Kletsas D, Metwally K. Design and synthesis of novel quinazolinone–chalcone hybrids as potential apoptotic candidates targeting caspase-3 and PARP-1: in vitro, molecular docking, and SAR studies. New J Chem 2022. [DOI: 10.1039/d2nj04053k] [Reference Citation Analysis]
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