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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)
, Goutam Brahmachari (2) , Vivek Kumar Gupta (3,*) (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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DOI: 10.5155/eurjchem.12.4.493-501.2145
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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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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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