J Pharm Pharmacogn Res 3(suppl. 1): S111, 2015
Proceedings of the 4th International Symposium on Pharmacology of Natural Products FAPRONATURA 2015 September 21st-25th, 2015; Cuban Society of Pharmacology. Topes de Collantes, Sancti Spiritus, Cuba.
PPP-19: EVALUATION OF ANALGESIC ACTIVITY OF FLAVONOIDS OF Boldoa purpurascens CAV IDENTIFIED BY VIRTUAL SCREENING
López A, González D, Marrero Y.
Introduction: The actual analgesic therapy is unsatisfactory for the treatment of pain because of its multiples side effects that is why the search of new molecules from natural products continues for this purpose is very important nowadays. The aim of this paper is to identify new analgesic molecules of Boldoa purpurascens Cav. through the Virtual Screening using QSAR-LDA models and in vivo experimental corroboration. Methods: LDA- QSAR models using linear, bilinear and quadratic indices stochastic and non-stochastic-based relationships are developed. The obtained were used in virtual screening of flavonoids isolated of B. purpurascens as potential analgesics. Finally, those identified compounds of natural origin (DMR 1, DMR 2, DMR 3 and DMR 4) were evaluated at doses of 50, 100 and 150 mg/kg by the hot plate and acetic acid writhing tests. Results: The four tested compounds showed analgesic activity in two animal models of pain, and were previously identified by Virtual Screening. Conclusions: TOMOCOMD-CARDD program and QSAR-LDA models have allowed the identification of four compounds isolated from Boldoa purpurascens Cav. as new analgesics, showing a good correlation between theoretical and experimental results. TOMOCOMD-CARDD/ QSAR-LDA demonstrate the potential in the selection of new compounds with analgesic activity.
Citation Format: López A, González D, Marrero Y (2015) Evaluation of analgesic activity of flavonoids of Boldoa purpurascens Cav identified by virtual screening. [Abstract]. In: Proceedings of the FAPRONATURA 2015; 2015 Sep 21-25; Topes de Collantes, Sancti Spiritus: CSF. J Pharm Pharmacogn Res 3(Suppl. 1): S111. Abstract nr PPP-19.