Tackling Stereochemistry in Drug Molecules with Vibrational Optical Activity

Tackling Stereochemistry in Drug Molecules with Vibrational Optical Activity

Chirality plays a crucial role in drug discovery and development. As a result, a significant number of commercially available drugs are structurally dissymmetric and enantiomerically pure. The determination of the exact 3D structure of drug candidates is, consequently, of paramount importance for th...

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Bibliographic Details
Main Authors: Jonathan Bogaerts, Roy Aerts, Tom Vermeyen, Christian Johannessen, Wouter Herrebout, Joao M. Batista
Format: Article
Language:English
Published: MDPI AG 2021-08-01
Series:Pharmaceuticals
Subjects:
vibrational optical activity (VOA)
vibrational circular dichroism (VCD)
raman optical activity (ROA)
density functional theory (DFT)
absolute configuration
pharmaceutical industry
Online Access:https://www.mdpi.com/1424-8247/14/9/877

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https://www.mdpi.com/1424-8247/14/9/877

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