PF543-like compound, a promising sphingosine kinase 1 inhibitor: Structure-based virtual screening and molecular dynamic simulation approaches
Moyad Shahwan, Nageeb Hassan, Akram Ashames, Mohammed Alrouji, Fahad A. Alhumaydhi, Waleed Al Abdulmonem, Abdullatif Bin Muhsinah, Mohammad Furkan, Rizwan Hasan Khan, Anas Shamsi, Akhtar Atiya
Topics & Concepts
Virtual screeningMolecular dynamicsPubChemChemistrySphingosine kinaseSphingosine kinase 1Computational biologyCombinatorial chemistrySphingosineBiochemistryComputational chemistryBiologyReceptorSphingosine-1-phosphateSphingolipid Metabolism and SignalingComputational Drug Discovery MethodsBioactive Compounds and Antitumor Agents