European Journal of Chemistry 2021, 12(4), 493-501 | doi: https://doi.org/10.5155/eurjchem.12.4.493-501.2145 | Get rights and content

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


Varun Sharma (1) orcid , Goutam Brahmachari (2) orcid , Vivek Kumar Gupta (3,*) orcid

(1) Department of Physics, University of Jammu, Jammu Tawi-180006, India
(2) Laboratory of Natural Products and Organic Synthesis, Department of Chemistry, Visva-Bharati (A Central University), Santiniketan-731235, West Bengal, India
(3) Department of Physics, University of Jammu, Jammu Tawi-180006, India
(*) Corresponding Author

Received: 10 Jul 2021 | Revised: 18 Aug 2021 | Accepted: 28 Aug 2021 | Published: 31 Dec 2021 | Issue Date: December 2021

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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Keywords


Bis-indole; X-ray diffraction; Biological activity; Hydrogen bonding; Geometrical parameters; Bifurcated hydrogen bonds

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DOI: 10.5155/eurjchem.12.4.493-501.2145

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Funding information


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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How to cite


Sharma, V.; Brahmachari, G.; Gupta, V. Eur. J. Chem. 2021, 12(4), 493-501. doi:10.5155/eurjchem.12.4.493-501.2145
Sharma, V.; Brahmachari, G.; Gupta, V. Crystallographic structure, activity prediction, and hydrogen bonding analysis of some CSD-based 3,3'-bis-indole derivatives: A review. Eur. J. Chem. 2021, 12(4), 493-501. doi:10.5155/eurjchem.12.4.493-501.2145
Sharma, V., Brahmachari, G., & Gupta, V. (2021). Crystallographic structure, activity prediction, and hydrogen bonding analysis of some CSD-based 3,3'-bis-indole derivatives: A review. European Journal of Chemistry, 12(4), 493-501. doi:10.5155/eurjchem.12.4.493-501.2145
Sharma, Varun, Goutam Brahmachari, & Vivek Kumar Gupta. "Crystallographic structure, activity prediction, and hydrogen bonding analysis of some CSD-based 3,3'-bis-indole derivatives: A review." European Journal of Chemistry [Online], 12.4 (2021): 493-501. Web. 12 Aug. 2022
Sharma, Varun, Brahmachari, Goutam, AND Gupta, Vivek. "Crystallographic structure, activity prediction, and hydrogen bonding analysis of some CSD-based 3,3'-bis-indole derivatives: A review" European Journal of Chemistry [Online], Volume 12 Number 4 (31 December 2021)

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