Bioactive metabolites of hass and reed avocados targeting methicillin-resistant Staphylococcus aureus enterotoxin-like X via molecular modeling and cytotoxicity assessments

The aim of this study is to estimate the nutritive values, metabolites of Hass and Reed Avocado cultivars and evaluate their antimicrobial and anticancer activities. Hass was rich in water soluble vitamins, iron and calcium while, Reed contains more fat soluble vitamins. Benzaldehyde and butyl phenol derivatives were the major volatile components identified by solid phase extraction in Hass and Reed, respectively. Naringenin and rutin were the major compounds identified in Hass and Reed by HPLC analysis respectively. Hass showed a promising antimicrobial activity, especially, against Methicillin-Resistant S. aureus (MIC = 7.81 μg/mL). Two targets sites were selected to investigate the mechanism of action of Hass, Staphylococcal Enterotoxin-like X and Serine/threonine kinases Proteins (STK). Molecular docking demonstrated high binding affinity of naringenin towards Enterotoxin-like X. However, high levels of rutin in Reed might account for its cytotoxic activity against colorectal adenocarcinoma. Avocado extracts may be used for developing potential antibiotics.

Keywords: Avocado; enterotoxin-like X; methicillin-resistant Staphylococcus aureus; molecular modelling; serine/threonine kinases proteins; solid phase extraction.