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Designing of 2,3-dihydrobenzofuran derivatives as inhibitors of PDE1B using pharmacophore screening, ensemble docking and molecular dynamics approach

Mayasah Al‐Nema, Anand Gaurav, Vannajan Sanghiran Lee

2023Computers in Biology and Medicine12 citationsDOI

Topics & Concepts

PharmacophoreDocking (animal)Virtual screeningMolecular dynamicsChemistryComputational biologyCombinatorial chemistryComputer scienceStereochemistryComputational chemistryMedicineBiologyNursingPhosphodiesterase function and regulationCholinesterase and Neurodegenerative DiseasesReceptor Mechanisms and Signaling
Designing of 2,3-dihydrobenzofuran derivatives as inhibitors of PDE1B using pharmacophore screening, ensemble docking and molecular dynamics approach | Litcius