| Full text | |
| Author(s): |
Bezerra, Julia N.
;
Spadeto, Joao Paulo M.
;
Dare, Joyce K.
;
Almeida, Wanda Pereira
;
Freitas, Matheus P.
;
Cormanich, Rodrigo A.
Total Authors: 6
|
| Document type: | Journal article |
| Source: | CHEMPLUSCHEM; v. 87, n. 8, p. 12-pg., 2022-08-01. |
| Abstract | |
The anti-tyrosinase activity of the leaf extract of Schinus terebinthifolius, also known as Brazilian peppertree, was evaluated using multiple in silico approaches, such as molecular homology, molecular docking, MM-GBSA, molecular dynamics, MM-PBSA, QSAR, and skin permeability predictions. With these computational tools, the compounds that downregulate tyrosinase enzyme activity could be evaluated, and more potent molecules could be identified. The results indicated that various compounds, especially luteolin, are accountable for the anti-tyrosinase activity of S. terebinthifolius. For cosmetic application, further studies with luteolin are especially recommended, for having presented a good performance both in theoretical inhibition (30.92 kJ mol(-1)) and skin permeability (LogKp=-6.62 cm(-1)). (AU) | |
| FAPESP's process: | 20/06536-3 - Fluorinase reactive substrate analysis |
| Grantee: | João Paulo Menezes Spadeto |
| Support Opportunities: | Scholarships in Brazil - Master |
| FAPESP's process: | 18/03910-1 - Physicochemical studies of fluorinated organic compounds: experimental and theoretical approaches |
| Grantee: | Rodrigo Antonio Cormanich |
| Support Opportunities: | Research Grants - Young Investigators Grants |