Abstract

Chiroptical spectroscopy has emerged as a promising tool for the determination of absolute configurations and predominant conformations of chiral molecules in academic laboratories. This promise has led to the adaption of chiroptical spectroscopic methods as valuable tools in chiral drug discovery research programs of the pharmaceutical industry. Most major pharmaceutical companies have invested in in-house chiroptical spectroscopy applications and reported successful outcomes. In the context of continuously increasing applications of chiroptical spectroscopy for chiral molecular structure determination, a review of recent developments and applications for chiral drugs is presented in this manuscript.

Highlights

  • Life on planet Earth owes its existence to chirality or handedness

  • Circular dichroism (CD) associated with electronic transitions, referred to as electronic CD (ECD), is another chiroptical property that was popularized among synthetic organic chemists by Nakanishi, Harada, Berova, and their coworkers, via the use of an exciton chirality model [5,6]

  • A large array of chiral molecules, that do not contain electronic chromophores absorbing visible light, cannot be studied using this method. This limitation was overcome by the development of two new methods that measure optical activity associated with vibrational transitions, which do not depend on the absence or presence of electronic chromophores

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Summary

Introduction

Life on planet Earth owes its existence to chirality or handedness. Chiral molecules are those that possess handedness, i.e., in simple terms, they are either left handed or right handed. Circular dichroism (CD) associated with electronic transitions, referred to as electronic CD (ECD), is another chiroptical property that was popularized among synthetic organic chemists by Nakanishi, Harada, Berova, and their coworkers, via the use of an exciton chirality model [5,6]. A large array of chiral molecules, that do not contain electronic chromophores absorbing visible light, cannot be studied using this method This limitation was overcome by the development of two new methods that measure optical activity associated with vibrational transitions, which do not depend on the absence or presence of electronic chromophores. These two steps are followed by comparative analysis of the experimental and predicted chiroptical spectra

Chiroptical Spectroscopic Tools
Instrumentation
Spectral
AAStep-by-Step
Spectral Overlap Analysis
Conclusions

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