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Exploring marine-derived bioactive compounds for dual inhibition of Pseudomonas aeruginosa LpxA and LpxD: integrated bioinformatics and cheminformatics approaches.
Mol Divers. 2024 May 23. doi: 10.1007/s11030-024-10888-8. Online ahead of print.
Mol Divers. 2024.
PMID: 38780832
Flavonoids as potential KRAS inhibitors: DFT, molecular docking, molecular dynamics simulation and ADMET analyses.
Prinsa, Saha S, Bulbul MZH, Ozeki Y, Alamri MA, Kawsar SMA.
Prinsa, et al.
J Asian Nat Prod Res. 2024 Apr 22:1-38. doi: 10.1080/10286020.2024.2343821. Online ahead of print.
J Asian Nat Prod Res. 2024.
PMID: 38647682
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Establishing the Role of Iridoids as Potential Kirsten Rat Sarcoma Viral Oncogene Homolog G12C Inhibitors Using Molecular Docking; Molecular Docking Simulation; Molecular Mechanics Poisson-Boltzmann Surface Area; Frontier Molecular Orbital Theory; Molecular Electrostatic Potential; and Absorption, Distribution, Metabolism, Excretion, and Toxicity Analysis.
Alamri MA, Alawam AS, Alshahrani MM, Kawsar SMA, Prinsa, Saha S.
Alamri MA, et al.
Molecules. 2023 Jun 28;28(13):5050. doi: 10.3390/molecules28135050.
Molecules. 2023.
PMID: 37446713
Free PMC article.
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