Editorial: Experimental and theoretical investigation of non-covalent interactions in potential bioactive compounds

Front Chem. 2023 Nov 13:11:1326955. doi: 10.3389/fchem.2023.1326955. eCollection 2023.

Authors

Subbiah Thamotharan¹, M Judith Percino², Diego Mauricio Gil³

Affiliations

¹ Biomolecular Crystallography Laboratory and DBT-Bioinformatics Center, School of Chemical and Biotechnology, SASTRA Deemed University, Thanjavur, India.
² Unidad de Polímeros y Electrónica Orgánica, Instituto de Ciencias, Benemérita Universidad Autónoma de Puebla, Puebla, México.
³ INBIOFAL (CONICET-UNT), Instituto de Química Orgánica, Facultad de Bioquímica, Química y Farmacia, Universidad Nacional de Tucumán, San Miguel de Tucumán, Argentina.

No abstract available

Keywords: CLP-PIXEL energy; DFT; bioactive; energetics; hirshfeld surface; weak noncovalent interaction.

Publication types

Editorial

Grants and funding

The author(s) declare that no financial support was received for the research, authorship, and/or publication of this article.