Suzana A S Queiroz, Ana Letícia P Dos Santos, Antonio F Bobey, Vinicius A Cabral, Hugo Verli, Tatiana B Dos Santos Magalhães, Elisalva T Guimarães, Milena B P Soares, Anna Caroline C Aguiar, Rafael V C Guido, Marcelo Trovó, Eduardo M Cilli, Meri Emili F Pinto, Vanderlan S Bolzani
Two new heptapeptides, [1-7-NαC]-crocaorbs A1 (1) and A2 (2), were isolated from the latex of Croton campanulatus. Their structures were determined using NMR spectroscopic techniques, ESI-HRMS data, Marfey's method, and further refined using molecular dynamics with simulated annealing (MD/SA). Molecular dynamics calculations of peptides 1 and 2 demonstrated greater stability in simulations using a biological solvent compared to those using DMSO. Compound 1, the most abundant peptide in latex, was assessed for NO production, antiplasmodial and cytotoxicity activities...
August 12, 2024: Fitoterapia