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Novel thiophene Chalcones-Coumarin as acetylcholinesterase inhibitors: Design, synthesis, biological evaluation, molecular docking, ADMET prediction and molecular dynamics simulation

Aso Hameed Hasan, Sankaranarayanan Murugesan, Syazwani Itri Amran, Subhash Chander, Mohammed M. Alanazi, Taïbi Ben Hadda, Sonam Shakya, Mohammad Rizki Fadhil Pratama, Basundhara Das, Subhrajit Biswas, Joazaizulfazli Jamalis

2021Bioorganic Chemistry96 citationsDOI

Topics & Concepts

ChemistryCoumarinDocking (animal)AcetylcholinesteraseThiopheneMolecular dynamicsCombinatorial chemistryAcetylcholinesterase inhibitorStereochemistryComputational chemistryEnzymeBiochemistryOrganic chemistryNursingMedicineCholinesterase and Neurodegenerative DiseasesComputational Drug Discovery MethodsSynthesis and biological activity
Novel thiophene Chalcones-Coumarin as acetylcholinesterase inhibitors: Design, synthesis, biological evaluation, molecular docking, ADMET prediction and molecular dynamics simulation | Litcius