Tetrel bonds involving a CF<sub>3</sub> group participate in protein–drug recognition: a combined crystallographic and computational study-Reference-Cited by-同舟云学术

Tetrel bonds involving a CF₃ group participate in protein–drug recognition: a combined crystallographic and computational study

Published:2023 Issue:17 Volume:25 Page:12409-12419
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Piña María de las Nieves¹,Sahu Akshay Kumar²³,Frontera Antonio¹^ORCID,Biswal Himansu S.²³^ORCID,Bauzá Antonio¹^ORCID

Affiliation:

1. Department of Chemistry, Universitat de les Illes Balears, Crts de Valldemossa km 7.6, 07122 Palma de Mallorca, Baleares, Spain

2. School of Chemical Sciences, National Institute of Science Education and Research (NISER), PO-Bhimpur-Padanpur, Via-Jatni, Khurda, 752050, Bhubaneswar, India

3. Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400094, India

Abstract

The involvement of carbon tetrel bonding interactions in protein–drug chemistry has been evaluated by combining theoretical (RI-MP2/def2-TZVPD) and crystallographic (X-ray analysis) techniques.

Funder

Department of Atomic Energy, Government of India

Agencia Estatal de Investigación

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP00839H

Reference75 articles.

1. Binding Mechanisms in Supramolecular Complexes

2. The nature of .pi.-.pi. interactions