The chemical composition and seasonal variation of the essential oil from the aerial parts of Plectranthus hadiensis grown during the rainy and summer seasons in the Western Ghats of India was analysed by GC-MS technique. The analysis of rainy season oil led to the identification of 31 compounds, representing 96.4% of the essential oil and the winter season oil led to 25 compounds, representing 95.1% of the oil. Most of the compounds were sesquiterpenes and oxygenated monoterpenes. The major components of the rainy season oil were L-fenchone (30.42%), β-farnesene (11.87%), copaene(11.10%), 2,3-dimethyl hydroquinone (10.78%), α-caryophyllene(8.41%) and piperitone oxide (3.94%) and of the summer season oil are L-fenchone (31.55%), copaene(11.93%), β-farnesene (10.45%), 1,8-naphthalenedione, 8a-ethylperhydro (10.06%), α-caryophyllene(6.36%), piperitone oxide (5.79%) and limonene(4.63%). Antibacterial activity of the essential oil of P. hadiensis was tested using zone of inhibition and minimum inhibition concentration methods. Both the oils inhibited the organisms and showed the zone of inhibition in the range of 20-35 mm with MIC values between 32 and 64 mg/dL.
Objectives: The objectives of this study were to determine the chemical composition of the essential oil obtained from the flowers of Nyctanthes arbor-tristis (NAT) and to carryout molecular docking studies against three bacterial proteins to study the mechanism of the antibacterial activity.
Methods: The essential oil was obtained from the flowers of NAT by hydrodistillation and the chemical composition was determined by gas chromatography–mass spectrometry analysis. Docking study was carried out for 14 compounds identified from NAT against three bacterial proteins 1UAG, 3TYE, and 3UDI.
Results: Fourteen compounds were identified in the essential oil. 1-octanol (74.81%) is the predominant compound followed by phytol (6.80%), bis (2-ethylhexyl) phthalate (5.88%), and eucarvone (4.23%). Many compounds are similar to that of the essential oil from jasmine. Among the 14 compounds identified, 7,9-di-tert-butyl-1-oxaspiro (4,5) deca-6,9-diene-2,8-dione interacted well with 1UAG and 3TYE and showed binding scores of −8.9 and −7.2 K Cal/mol, respectively, involving hydrophilic and hydrophobic interactions. With the protein 3UDI, the compound eucarvone exhibited a binding score of −7.1 K Cal/mol.
Conclusion: The similarities between the essential oil constituents of flowers the two plants NAT and jasmine. Therefore, it could be concluded that NAT flowers of Coimbatore are a good source of fragrance for cosmetic industry and as an antibacterial agent.
COVID-19 has become a pandemic, and any new drug for treating the disease could save millions of lives. Several drugs already in use for other diseases and medical conditions are repurposed for treating COVID-19 in an attempt to find treatment for the disease without spending research time on ADME TOX and other studies on side effects. In this exercise, the drugs repurposed are from antiviral, antibiotics, antiviral for HIV and HCV, anti-cancer, natural medicines, etc. Possible repurposing anti-diabetic GPR-120 agonists used as for SAR-CoV-2 is attempted in the study by carrying out docking of 68 GPR-120 agonists. Ten of these compounds were found to have docking scores −8.3 to −8.0, and the best docking score was observed for an arylsulfonamide and a biarylpropanoic acid belonging to GPR120 agonists previously evaluated for the treatment of type II diabetes. These GPR120 agonists could serve as start point for novel inhibitors for the discovery of drugs to treat COVID-19.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.