European Journal of Chemistry

Crystallographic structure, activity prediction, and hydrogen bonding analysis of some CSD-based 3,3'-bis-indole derivatives: A review

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Varun Sharma
Goutam Brahmachari
Vivek Kumar Gupta

Abstract

Herein we report crystallographic comparison of some geometrical and structural features for a series of biologically relevant bis-indole derivatives. Selected bond distances and bond angles of interest in a series of bis-indole derivatives have been discussed in detail. The biological activity of the substances has been correlated with based the structure-activity relationships (SAR) base which provides the different possibility of activity (Pa) and possibility of inactivity (Pi). For a better understanding of the packing interactions existing among these derivatives, an overview of crystal structure analysis with emphasis on the intramolecular hydrogen bonding in some bis-indole derivatives is presented. The role of hydrogen bonding in the crystal structure assembly of bis-indole derivatives has been found to be predominant and this observation reveals significant impact of hydrogen bonding in high value of drug-likeness of these bio-molecules.


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Sharma, V.; Brahmachari, G.; Gupta, V. K. Crystallographic Structure, Activity Prediction, and Hydrogen Bonding Analysis of Some CSD-Based 3,3’-Bis-Indole Derivatives: A Review. Eur. J. Chem. 2021, 12, 493-501.

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Supporting Agencies

University of Jammu, Rashtriya Uchchatar Shiksha Abhiyan (RUSA) 2.0 Project (Ref. No, RUSA/JU/2/ 2019-20/111/3588-3636), Jammu, India.
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