Conference Agenda

Presentations including 'Intermolecular interaction analysis from SCXRD'

ID: 542 / Poster - 21 Quantum: 8
Bursary application
Oral/poster
MS: Quantum crystallography research, Quantum crystallographic studies on intra/inter-molecular interactions
Keywords: Hirshfeld surface; DNA-interaction; lipophilicity; antitumor activity

Intermolecular interaction analysis from SCXRD and their relationship with observed properties in potential pharmaceuticals

Natalia Alvarez1, Antonio José Costa-Filho2, Javier Ellena3, Gianella Facchin1

1Facultad de Química, Universidad de la República, Montevideo, Uruguay; 2Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo, SP, Brazil; 3Instituto de Física de São Carlos, Universidade de São Paulo, SP, Brazil

Bibliography
[1] Serment-Guerrero, J., et al. (2011). Toxicology In Vitro, 25(7), 1376-1384.

[2] Gandin, V., et al. (2017). Scientific Reports, 7(1), 13936.

[3] Alvarez, N., et al. (2014). Inorganica Chimica Acta, 466, 559-564.

[4] Alvarez, N., et al. (2020). Journal of Inorganic Biochemistry, 203, 110930.
External Resource: https://www.xray.cz/iucrp/P_334

Session Details:

Poster - 21 Quantum: Quantum crystallography
Time: 17/Aug/2021: 4:40pm-5:40pm