RESUMO
On March 11, 2020, the World Health Organization (WHO) officially declared the outbreak caused by the new coronavirus (SARS-CoV-2) a pandemic. The rapid spread of the disease surprised the scientific and medical community. Based on the latest reports, news, and scientific articles published, there is no doubt that the coronavirus has overloaded health systems globally. Practical actions against the recent emergence and rapid expansion of the SARS-CoV-2 require the development and use of tools for discovering new molecular anti-SARS-CoV-2 targets. Thus, this review presents bioinformatics and molecular modeling strategies that aim to assist in the discovery of potential anti-SARS-CoV-2 agents. Besides, we reviewed the relationship between SARS-CoV-2 and innate immunity, since understanding the structures involved in this infection can contribute to the development of new therapeutic targets. Bioinformatics is a technology that assists researchers in coping with diseases by investigating genetic sequencing and seeking structural models of potential molecular targets present in SARS-CoV2. The details provided in this review provide future points of consideration in the field of virology and medical sciences that will contribute to clarifying potential therapeutic targets for anti-SARS-CoV-2 and for understanding the molecular mechanisms responsible for the pathogenesis and virulence of SARS-CoV-2.
Assuntos
Antivirais/uso terapêutico , Betacoronavirus/efeitos dos fármacos , Betacoronavirus/imunologia , Biologia Computacional , Infecções por Coronavirus/tratamento farmacológico , Infecções por Coronavirus/imunologia , Descoberta de Drogas , Pneumonia Viral/tratamento farmacológico , Pneumonia Viral/imunologia , Animais , Betacoronavirus/patogenicidade , COVID-19 , Infecções por Coronavirus/diagnóstico , Infecções por Coronavirus/transmissão , Humanos , Imunidade Inata , Pandemias , Pneumonia Viral/diagnóstico , Pneumonia Viral/transmissão , SARS-CoV-2RESUMO
Two novel protolimonoids, named lepidotrichilins A (1) and B (2), four known protolimonoids, 21,23-epoxy-7α-21α-dihydroxyapotirucalla-14,24-dien-3-one (3), 21,23-epoxy-7α-21ß-dihydroxyapotiru-calla-14,24-dien-3-one (4), dysorone D (5), deoxy-flindissone (6), and the two steroids ß-sitosterol (7) and stigmasterol (8) were identified in leaves of Trichilia lepidota subsp. schumanniana (Harms) T.D. Pennington. From wood the coumarin scopoletin (9) was isolated. The structures were established by NMR (1D (1)H and (13)C-NMR and 2D (1)H-(1)H COSY, HMQC and HMBC), mass spectroscopy and infrared (IR) spectral data. The hexane and methanol extracts of the leaves, the protolimonoids lepidotrichilins A (1) and B (2) (IC50 42.7 µg mL(-1)) and the protolimonoid deoxy-flindissone (6; IC50 9.3 µgmL(-1)) exhibited significant cytotoxic activity against the MOLT-4 and U937 leukemic cell lines.