Search

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a novel infectious disease that is in rapid growth. Several trials are going on worldwide to find a solution for this pandemic. The viral replication can be blocked by inhibiting the receptor-binding domain (RBD) of SARS-CoV-2 spike protein (SARS-CoV-2 RBD Spro) and the SARS-CoV-2 main protease (SARS-CoV-2 Mpro). The binding of potential small molecules to these proteins can inhibit the replication and transcription of the virus. The spice molecules that are used in our food have antiviral, antifungal and antimicrobial properties. As spice molecules are consumed in the diet, hence its antiviral properties against SARS-CoV-2 will benefit in a significant manner. Therefore, in this work, the molecular docking of 30 selected spice molecules (screened through ADME property) was performed to identify the potential inhibitors for the RBD Spro and Mpro of SARS-CoV-2. We have found that though all the molecules bind actively with the SARS-CoV-2 RBD Spro and Mpro, but Piperine has the highest binding affinity among the 30 screened molecules. Besides, the comparative study between Piperine and currently used drugs show that Piperine is more effective. The interaction of Piperine with RBD Spro and Mpro is further validated by the molecular dynamics (MD) simulation studies. The free energy landscape and binding free energy results also, support for the stable complex formation of Piperine with RBD Spro and Mpro. We anticipate immediate wet-lab experiments and clinical trials in support of this computational study that might help to inhibit the SARS-CoV-2 virus. Communicated by Ramaswamy H. Sarma, Graphical Abstract

Although light-to-moderate alcohol consumption is considered beneficial, alcohol in binge doses or high cumulative lifetime consumption leads to cardiovascular diseases, metabolic syndrome and structural damage to various organs. Alcohol is known to alter blood lipid concentrations; however, the association of the types of alcohol on the lipid profile has not been investigated extensively. A cross-sectional study involving male participants (n = 86) aged 20 to 60 from the Ranchi and Dhanbad zone of Jharkhand, India, was carried out to investigate the effects of cumulative lifetime consumption of Haria, a local rice-based fermented alcohol, Indian made foreign liquor (IMFL), and a combination of the two on the blood lipid profiles. Demographic characteristics, dietary intake and medical history were obtained from the participants by questionnaire, and lipid levels were determined by analysis of blood samples. The effect of Haria alone on the blood lipids was also investigated on the local female population (n = 31). After adjusting for demographic and dietary factors, IMFL and combination of IMFL and Haria consumption was associated with increased serum total cholesterol, triglyceride, and low density lipoprotein (LDL) cholesterol levels (P < 0.05) and decreased high density lipoprotein (HDL) cholesterol levels (P < 0.05). None of the blood lipids changed significantly in Haria consumers in both male and female groups. This study suggests that Haria, a popular alcoholic beverage of West Bengal and east-central India, is a relatively safe local alcoholic beverage and does not alter the lipid profile in consumers.