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In-silico studies of pyrazolopyranopyrimidine as a potential anticancer inhibitor: Synthesis, network pharmacology, ADMET prediction, molecular docking, and dynamics simulations

Younesse Ait Elmachkouri, Ezaddine Irrou, Hassan Ouachtak, Magdi E. A. Zaki, Sobhi M. Gomha, Ali Oubella, Saad H. Alotaibi, Mohamed Labd Taha

2025Journal of Molecular Structure14 citationsDOI

Topics & Concepts

ChemistryIn silicoDocking (animal)Molecular dynamicsComputational biologyPharmacologyCombinatorial chemistryComputational chemistryBiochemistryGeneMedicineBiologyNursingSynthesis and biological activityClick Chemistry and ApplicationsComputational Drug Discovery Methods
In-silico studies of pyrazolopyranopyrimidine as a potential anticancer inhibitor: Synthesis, network pharmacology, ADMET prediction, molecular docking, and dynamics simulations | Litcius