ABSTRACT
SARS-CoV-2 (severe acute respiratory syndrome coronavirus-2) was first reported in Hubei Province of the People's Republic of China, during a pneumonia outbreak in late 2019. COVID-19 became a viral pandemic causing higher mortalities across the globe. Increasing mutations in the spike proteins led to increased severity and speedy transmission. Since its appearece, the scientific world has been trying to develop an effective drug to treatment COVID-19. Main protease responsible for viral replication is found to be potent target irrespective of SARS-CoV-2 mutations. So, this investigation focuses on evaluating the protease inhibiting capabilities of Oscillatoria sp. derived bioactive compounds through in silico processes. The bioactive compounds with potential activities were identified, analysed and retrieved from database of KNApSAck. Binding sites of the target protein was examined using Cast P online server. Total of 29 bioactive compounds from Osciallatoria sp. were subjected to molecular docking against protease of SARS-CoV-2. From the analysis, 5 compounds showed binding energy (>-7 kcal/mol) and significant interactions on binding aminoacid residues. PASS prediction showed all the compounds have probable antiviral activity. Therefore, it was concluded that, the compounds Anabaenopeptin F, Oscillamide Y, Raocyclamide A, Anabaenopeptin B and Largamide A can be utilised for development of effective drugs in the treatment of COVID-19 infection.
ABSTRACT
The rapid spread of coronavirus disease 19 (COVID-19) has forced the need for the discovery of new antiviral agent or the development of new vaccine to fight against the pandemic disease, COVID-19 or SARS-CoV-2 (severe acute respiratory syndrome corona virus-2), owing to its high mortality rate worldwide. Therefore, medicinal plants are gaining much attention for human health for the period of pandemic situation because of the efficient activity, cost effectiveness and limited side effects. These plants or phytochemicals have been used for several decades to treat various emerging virus infections through the inhibiting the various drug targets. Consequently, the current evidence indicating those medicinal plants or herbs and their component have the potent antiviral activity against SARS-CoV-2. Therefore, this review summarises the important Indian as well as Chinese medicinal plants and their phytochemicals or extracts which have the potency to battle with SARS-CoV-2 along with deciphered mechanism of action. These medicinal plants served as alternative treatment choice for the treatment of COVID-19 disease during this overwhelming pandemic situation.
ABSTRACT
Viral mutations can become more common as a result of natural selection, random genetic drift or recent epidemiological trends. Even more difficult is to determine whether a single mutation will affect the fate of an illness or a pandemic. World Health Organization designated the latest strain of SARS-CoV-2, the Omicron, as a "variant of concern" as more countries are reporting cases, and it contains a unique mix of mutations that might help it spread faster. Mutations in the SARS-CoV-2 strains at the high rates lead to the in effectiveness of vaccines and developed drugs. As the mutations occur only on the spike proteins of the viral particles, targeting other vital enzymes, i.e., proteases for drug discovery paves way for potential drug candidate irrespective of the mutations. So, the present study focuses on identifying the phytocompounds from Datura metal L. inhibiting the SARS-CoV-2 proteases. The druglikeness, PASS predictions and ADMET properties of the selected compounds were performed. 31 compounds were identified from the KNApSAck database and subjected to molecular docking studies. From the analysis, 7 compounds. Withametelin I, Withametelin J, Withametelin K, Withametelin L, Withametelin M, Withametelin N and Withametelin O showed significant binding energies and ADMET values. Therefore, these compounds can be further utilized for development of novel drugs for treatment of SARS-CoV-2 infections.
ABSTRACT
World health organisation (WHO) has declared antimicrobial resistance as a global crisis. Antimicrobial resistance is an emerging issue following the COVID-19. The development of novel antibiotics has become necessary for the treatment of MDR infections. Plants serve as a potential source for developing novel drugs, and herbal-based drugs are often safe. Therefore, the present study focuses on evaluating the antiMDR bacterial activity of Coleus amboinicus L. against multidrug-resistant Escherichia coli and Staphylococcus aureus. The clinical pathogens were collected and an antibiotic susceptibility test was performed using standard antibiotics to evaluate the resistant pattern of the pathogens. Bioactive compounds of the C. amboinicus leaves were extracted using methanol as solvent. DPPH radical scavenging activity and ferric reducing antioxidant power assay were performed. The antibacterial activity and minimum inhibitory concentration (MIC) of the leaf extract against isolated MDR pathogens were investigated. Crude plant extract showed better antioxidant values, 69.31 +/- 0.69% of DPPH scavenging and 78.35 +/- 0.32% of reducing power was observed on 1000 mu g of extract. 500 mg/ml and 1000 mg/ml showed higher zones against both the test organisms. MIC of E. coli and S. aureus was found to be 15.6 mg and 7.8 mg. From the analysis, bioactive compounds from C. amboinicus showed evident antibacterial activity against MDR pathogens and, therefore can be used for the development of antimicrobial drugs for the treatment of MDR infections.