A Density-functional Study of the Conformational Preference of Acetylcholine in the Neutral Hydrolysis

• Main Authors: Rizka N. Fadilla, .-, Febdian Rusydi, .-, Nufida D. Aisyah, .-, Vera Khoirunisa, .-, Hermawan K. Dipojono, .-, Faozan Ahmad, .-, Mudasir Mudasir, .-, Ira Puspitasari., .-
• Format: Article PeerReviewed
• Language: English; English; English; English
• Published: Multidisciplinary Digital Publishing Institute 2020
• Subjects: Q Science; Q Science (General); QC1 Physics (General)
• Online Access: https://repository.unair.ac.id/113200/4/C02.%20Karya%20Ilmiah.pdf; https://repository.unair.ac.id/113200/3/C02.%20Review%20dan%20Validasi.pdf; https://repository.unair.ac.id/113200/1/C02.%20Similarity_A%20Density-Functional%20Study%20of%20the%20Conformational.pdf; https://repository.unair.ac.id/113200/2/C02.%20Submission_a%20density%20functional-submission.pdf; https://repository.unair.ac.id/113200/; https://pubmed.ncbi.nlm.nih.gov/32033277/
• Institution: Universitas Airlangga

Acetylcholine, which is associated with Alzheimer's disease, is widely known to have conformers. The preference of each conformer to undergo neutral hydrolysis is yet to be considered. In this study, we employed density-functional calculations to build the conformers and investigated their pref...