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
Topics & Concepts
ChemistryCoumarinDocking (animal)AcetylcholinesteraseThiopheneMolecular dynamicsCombinatorial chemistryAcetylcholinesterase inhibitorStereochemistryComputational chemistryEnzymeBiochemistryOrganic chemistryNursingMedicineCholinesterase and Neurodegenerative DiseasesComputational Drug Discovery MethodsSynthesis and biological activity