Plant derived oils have recently been found to be more effective in pharmaceutical sectors than synthetic goods since these plants contain physiologically active chemicals with a wide range of therapeutic effects. Essential oil, also known as essence, volatile oil, etheric oil, or aetheroleum, is a complex mixture of volatile elements biosynthesised by living organisms, which is particularly abundant in aromatic plants. This research summarizes facts on the chemistry of essential oil isolated from Cyperus scariosus on the one hand and their most important biological activities on the other. The essential oil components were determined to be a complex mixture of volatile chemicals such as monoterpenes, sesquiterpene hydrocarbons, and their oxygenated derivatives using Gas Chromatography-Mass Spectrometry (GC-MS). Thermoanalytical techniques such as TGA and DSC were used to investigate the oil's stability. Infrared spectroscopy was used to provide further information on the existence of various functional groups. Furthermore, the extracted oil's antibacterial, antioxidant, and antimalarial activities were investigated. The antimalarial activity was tested against Plasmodium falciparum, and the antioxidant and free radical scavenging activity were calculated using the DPPH reagent. This comprehensive study will provide an overview of the chemicals extracted from Cyperus scariosus as well as the plant's convincing pharmacological qualities.
Objective: In this study, the M2 protein of influenza A virus was selected as a target for various phytochemical compounds and an attempt was made to determine their inhibitory activity against the target protein using computational biology. Thus, seeking novel therapeutic strategies against the influenza A virus.
Methods: With the aid of the computational approach in biology, using in-silico techniques, the evaluation of drug-likeness, molecular properties, and bioactivity of the identified eight phytocompounds (Pseudo beta colubrine, Withaferin, Shinjulactone D, 5-Dehydrouzarigenin, Cinchonidine, Corylidin, Amarolide, and Deoxyartemisinin) was carried out using Swiss absorption, distribution, metabolism, and excretion, while Protox-II server was used to identify its toxicity. The in silico molecular docking of the phytochemical ligands with the M2 protein motif was carried out using AutoDock (Vina), which evaluated the binding affinity for further selection of the most compatible and pharmacologically significant ligand. All the potent ligands could be considered as lead molecules based on their pharmacokinetic and drug likeness properties.
Results: Results suggested that Shinjulactone D, Cinchonidine, and Deoxyartemisinin ligands with the best binding pose could be selected as promising candidate, showing high potency for drug development.
Conclusion: This study concludes the relevance of selected phytochemical compounds as prospective leads for the treatment of influenza A virus.
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