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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Published: Dec 31, 2021
DOI: https://doi.org/10.5155/eurjchem.12.4.493-501.2145
Keywords:
Bis-indole, X-ray diffraction, Biological activity, Hydrogen bonding, Geometrical parameters, Bifurcated hydrogen bonds
Section
Review Article
Issue
Vol. 12 No. 4 (2021): December 2021
Dates
Received 2021-07-10
Accepted 2021-08-28
Published 2021-12-31
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Varun Sharma
Department of Physics, University of Jammu, Jammu Tawi-180006, India
https://orcid.org/0000-0003-2866-8638
Goutam Brahmachari
Laboratory of Natural Products and Organic Synthesis, Department of Chemistry, Visva-Bharati (A Central University), Santiniketan-731235, West Bengal, India
https://orcid.org/0000-0001-9925-6281
Vivek Kumar Gupta
Department of Physics, University of Jammu, Jammu Tawi-180006, India
https://orcid.org/0000-0003-2471-5943

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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