The First Records of the In Silico Antiviral and Antibacterial Actions of Molecules Detected in Extracts of Algerian Fir (<i>Abies numidica</i> De Lannoy) Using LC-MS/MS Analysis
Djamila Benouchenne,
Ines Bellil,
Samira Bendjedid,
Ana Ramos,
Gema Nieto,
Salah Akkal,
Douadi Khelifi
Affiliations
Djamila Benouchenne
Laboratoire de Génétique Biochimie et Biotechnologies Végétales, Faculté des Sciences de la Nature et de la Vie, Université Frères Mentouri Constantine 1, Constantine 25000, Algeria
Ines Bellil
Laboratoire de Génétique Biochimie et Biotechnologies Végétales, Faculté des Sciences de la Nature et de la Vie, Université Frères Mentouri Constantine 1, Constantine 25000, Algeria
Samira Bendjedid
Research Laboratory of Functional and Evolutionary Ecology, Department of Biology, Faculty of Natural Sciences and Life, Chadli Bendjedid University, El Tarf 36000, Algeria
Ana Ramos
Neuroscience and Aging Research Group, Faculty of Health Sciences, Corporación Universitaria Remington, Calle 51 n°51-27, Medellin 050012, Colombia
Gema Nieto
Department of Food Technology, Food Science and Nutrition, Faculty of Veterinary Sciences, Regional Campus of International Excellence “Campus Mare Nostrum”, University of Murcia, Espinardo, 30071 Murcia, Spain
Salah Akkal
Laboratory of Phytochemistry, Natural Products and Organic Synthesis (Physynor), Department of Chemistry, Faculty of Exact Sciences, University Brother Mentouri Constantine 1, Constantine 25000, Algeria
Douadi Khelifi
Laboratoire de Génétique Biochimie et Biotechnologies Végétales, Faculté des Sciences de la Nature et de la Vie, Université Frères Mentouri Constantine 1, Constantine 25000, Algeria
(1) Background: Due to the wide application in medicinal and pharmaceutical chemistry of flavonoid molecules, which are one of the most famous types of secondary plant metabolites, our work has come within the framework of bio-consulting to help in the identification of the molecule(s) responsible for the antibacterial effect which will be the active principle of a natural antibiotic developed from Algerian fir using bioinformatics tools. (2) Methods: The docking method was used to test the antiviral activity on SARS-CoV-2 virus and the antibacterial activity on Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli of 12 polyphenolic molecules present in the ethyl acetate and n-butanol extracts of Numidian fir leaves, and identify the molecules responsible for these specific biological activities. (3) Results: The findings revealed that it is possible that two molecules, hyperoside and quercitrin, have a high capacity to inhibit SARS-CoV-2, and it is important to mention that they are the most quantitatively abundant molecules in the extract. The molecule luteolin-7-glucoside is probably responsible for the antibacterial activity in the extract against Gram-negative bacteria such as Escherichia coli, and the molecule hesperidin is responsible for the antibacterial activity in the extract against Gram-positive bacteria such as Staphylococcus aureus.
