A novel strain of coronavirus, namely, SARS-CoV-2 has already taken the lives of more than 2 million people worldwide, causing several socio-economic and political disturbances, affecting our daily life. There are no definite therapies available and research is still being conducted to identify and develop an effective antiviral drug leads against SARS-CoV-2. Therefore, there is an immediate need to identify and develop new or repurposed antiviral (anti-coronavirus) drug leads. The virus requires the main protease (Pdb ID:6WTT), a multifunctional protein involved in the processing and replication of the viral RNAs. This paper aims to screen potential phytochemical compounds of Coriandrum sativum against the viral main protease. In order to identify a novel potent inhibitor, we have performed docking studies on the SARS-CoV-2 main protease with the phytochemical compounds of Coriandrum sativum. Among studied compounds, Cosomosiin, Erucic acid, Rosemarinic, and Pimentel appear to be potential inhibitors of the SARS-CoV-2 main protease. When docked against the crystal structure of the main protease, these four compounds revealed Libdock scores of 141.40, 133.89, 143.89, and 148.60 respectively. However, all these identified phytochemical compounds need to be further validated by molecular dynamics and invitro lab experiments for clinical use only after appropriate trials.
Background: The development of obesity involves hormones and neurotransmitters. The prevalence of obesity is measured by body mass index (BMI) raised to unacceptable levels in both men and women worldwide. Thyroid hormones are involved in multiple physiological processes, regulate basal metabolic rate, promote the adrenergic nervous system to generate heat in response to cold exposure and stimulate gluconeogenesis and lipolysis and lipogenesis. The increase in the production of thyroid hormone will increase the basal metabolic rate in the body. Thus, the increase in BMR reduces the breakdown of LDL-cholesterol, total cholesterol, and triglycer ides, which causes fat storage. The reduction in the fat level will eventually lead to a lower risk of obesity. Methods: Cissus quadrangularis has been reported to reduce obesity in humans, but no scientific evidence is available to support its use. The computational approach is used to study its biological properties such as molecular docking and functional analysis was performed using BIOVIA Discovery Studio software. Result: The molecular docking, pharmacodynamic and pharmacokinetic studies conducted on the active principles of Cissus quadrangularis showed good interaction with selected target proteins involved in obesity. Almost all the active principles possess anti-obesity properties. Amoyrone and ascorbic acid of Cissus quadrangularis has shown excellent interaction, drug likeliness, pharmacokinetic properties. This finding might help in developing an alternate, cost-effective, safe, eco-friendly anti-obese drug. However the results could be validated with in vivo and in vitro studies.
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