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Conceptualization and Synthesis of the First Inosito‐Inositol (Decahydroxydecalin, DHD): In silico Binding to β‐Amyloid Protein
Author(s) -
Rashid Showkat,
Bhat Bilal A.,
Mehta Goverdhan
Publication year - 2020
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.202003367
Subject(s) - in silico , conceptualization , amyloid (mycology) , computational biology , chemistry , amyloid β , inositol , biochemistry , neuroscience , receptor , biology , disease , medicine , computer science , artificial intelligence , gene , inorganic chemistry
Previously unknown entities in the form of 1,2,3,4,5,6,7,8,9,10‐decahydroxydecalins (DHDs) have been conceptualized and the first member of this class, an inosito‐inositol, has been synthesized from aromatic hydrocarbon naphthalene following a flexible strategy that is amenable to diversity creation. The DHD accessed here has been subjected to preliminary in silico evaluation with Aβ and may hold some promise in Alzheimer's disease therapeutics.