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Quantitative analysis of hydrogen and chalcogen bonds in two pyrimidine-5-carbonitrile derivatives, potential DHFR inhibitors: an integrated crystallographic and theoretical study.
Al-Wahaibi LH, Chakraborty K, Al-Shaalan NH, Syed Majeed MYA, Blacque O, Al-Mutairi AA, El-Emam AA, Percino MJ, Thamotharan S. Al-Wahaibi LH, et al. RSC Adv. 2020 Oct 6;10(60):36806-36817. doi: 10.1039/d0ra07215j. eCollection 2020 Oct 1. RSC Adv. 2020. PMID: 35517953 Free PMC article.
Spectroscopic, electronic structure, molecular docking, and molecular dynamics simulation study of 7-Trifluoromethyl-1H-indole-2-carboxylic acid as an aromatase inhibitor.
Singh I, Srivastava R, Shukla VK, Pathak SK, Burman T, Al-Mutairi AA, El-Emam AA, Prasad O, Sinha L. Singh I, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2022 Nov 5;280:121530. doi: 10.1016/j.saa.2022.121530. Epub 2022 Jun 20. Spectrochim Acta A Mol Biomol Spectrosc. 2022. PMID: 35752037
Exploring theophylline-1,2,4-triazole tethered N-phenylacetamide derivatives as antimicrobial agents: unraveling mechanisms via structure-activity relationship, in vitro validation, and in silico insights.
Saeed S, Shahzadi I, Zahoor AF, Al-Mutairi AA, Kamal S, Faisal S, Irfan A, Al-Hussain SA, Muhammed MT, Zaki MEA. Saeed S, et al. Among authors: al mutairi aa. Front Chem. 2024 Apr 5;12:1372378. doi: 10.3389/fchem.2024.1372378. eCollection 2024. Front Chem. 2024. PMID: 38645776 Free PMC article.
QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads.
Jawarkar RD, Sharma P, Jain N, Gandhi A, Mukerjee N, Al-Mutairi AA, Zaki MEA, Al-Hussain SA, Samad A, Masand VH, Ghosh A, Bakal RL. Jawarkar RD, et al. Molecules. 2022 Aug 3;27(15):4951. doi: 10.3390/molecules27154951. Molecules. 2022. PMID: 35956900 Free PMC article.
30 results