In Silico Molecular Studies of Antiophidic Properties of the Amazonian Tree Cordia nodosa Lam.

ABSTRACT: We carried out surveys on the use of Cordia nodosa Lam. in the jungles of Bobonaza (Ecuador). We documented this knowledge to prevent its loss under the Framework of the Convention on Biological Diversity and the Nagoya Protocol. We conducted bibliographic research and identified quercetrin as a significant bioactive molecule. We studied its in silico biological activity. The selected methodology was virtual docking experiments with the proteins responsible for the venomous action of snakes. The molecular structures of quercetrin and 21 selected toxins underwent corresponding tests with SwissDock and Chimera software. The results point to support its antiophidic use. They show reasonable geometries and a binding free energy of -7 to -10.03 kcal/mol. The most favorable values were ob

SUBMITTER: Luzuriaga-Quichimbo CX 

PROVIDER: S-EPMC6891429 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature