Concepedia

Synthesis, X-ray crystal structure elucidation and Hirshfeld surface analysis of <i>N</i>-((4-(1<i>H</i>-benzo[<i>d</i>]imidazole-2-yl)phenyl)carbamothioyl)benzamide: investigations for elastase inhibition, antioxidant and DNA binding potentials for biological applications

Nasima Arshad, Mamoona Rafiq, Rabail Ujan, Aamer Saeed, Shahid Iqbal Farooqi, Fouzia Perveen, Pervaiz Ali Channar, Saba Ashraf, Qamar Abbas, Ashfaq Ahmed,

RSC Advances · 2020 · 29 citations · 52 references

DOIFull text

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Concepts

Abstract

a mixed binding mode. All theoretical and experimental findings pointed to TUBC as a potential candidate for a variety of biological applications.

References

52

UCSF Chimera—A visualization system for exploratory research and analysis

Eric F. Pettersen, Thomas D. Goddard, Conrad C. Huang et al. · Journal of Computational Chemistry · 2004 · 47.8K citations

, , +17

<i>OLEX2</i>: a complete structure solution, refinement and analysis program

Oleg V. Dolomanov, Luc J. Bourhis, Richard J. Gildea et al. · Journal of Applied Crystallography · 2009 · 31.6K citations

, , +16

Hirshfeld surface analysis

Mark A. Spackman, Dylan Jayatilaka · CrystEngComm · 2008 · 7.8K citations

, , +12

Bonded-atom fragments for describing molecular charge densities

F. L. Hirshfeld · Theoretical Chemistry Accounts · 1977 · 6.9K citations

, , +14

Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

Joshua J. McKinnon, Dylan Jayatilaka, Mark A. Spackman · Chemical Communications · 2007 · 3.5K citations

, , +14