Caracterização físico-química das interações intermoleculares entre compostos da própolis e alvos bioquímicos do sars-cov-2: uma revisão da literatura

Abstract

COVID-19 (Coronavirus disease 2019) is a disease that first emerged in 2019 in Wuhan province, China and reached the degree of pandemic, with a high number of cases of infected and dead individuals worldwide. This pathology is caused by the SARS-CoV-2 virus (Severe Acute Respiratory Syndrome Coronavirus 2) and may be manifested with mild or severe clinical manifestations, which may progress to death. Vaccines are the only prophylactic therapy against SARS-CoV-2, however, the search for therapeutic alternatives obtained from natural products, mainly those from Traditional Chinese Medicine, has grown. One of these products is Propolis, a resinous material produced by bees of the Apis melifera species from secretions and other parts of plants, presenting several pharmacological activities, including the anti-SARS-CoV-2 activity. There are several chemical components of this product that present antiviral activity against SARS-CoV-2 in vitro and in silico, however, there are few studies that characterize the physicochemical profiles of interaction between these molecules and the biological targets of the virus. Thus, the objective of this work is to evaluate the main chemical constituents of propolis with anti-SARS-CoV-2 activity and the physicochemical interaction profiles between these and the main biochemical targets of SARS-CoV-2. For this, a search was carried out in the scientific literature, using the databases PubMed, Elsevier's Science Direct, CAPES Journals, and Taylor & Francis Springer-Nature database, using the descriptors “propolis” and “covid-19 ”. The data obtained were organized in tables that describe the main characteristics of the studies, as well as the group of most promising molecules and the physicochemical characterization of these substances. Thus, it was possible to observe that the most thermodynamically promising molecules for the inhibition of SARS-CoV-2 biological targets were the flavonoids, the main ones being rutin, hesperidin, kaempferol, isoramnetin and (2S)-5, 7-dihydroxy-4'-methoxy-8-prenylflavonone and a phenolic acid, CAPE. The most described intermolecular interactions were hydrogen bonds and hydrophobic interactions, and the amino acids most involved in the interactions were threonine and histidine. Therefore, it is possible to observe the high potential of this group of molecules present in propolis against the inhibition of viral replication and invasion through thermodynamically favorable chemical interactions. Despite this, it is necessary to carry out clinical trials with adequate methodological foundations in order to prove the efficacy of this product against clinical manifestations, as well as the prophylaxis of COVID-19.