Repurposing antiviral phytochemicals from the leaf extracts of Spondias mombin (Linn) towards the identification of potential SARSCOV-2 inhibitors.

Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), a pneumonia-like disease with a pattern of acute respiratory symptoms, currently remains a significant public health concern causing tremendous human suffering. Although several approved vaccines exist, vaccine hesitancy, limited vaccine availability, high rate of viral mutation, and the absence of approved drugs account for the persistence of SARS-CoV-2 infections. The investigation of possibly repurposing of phytochemical compounds as therapeutic alternatives has gained momentum due to their reported affordability and minimal toxicity. This study investigated anti-viral phytochemical compounds from ethanolic leaf extracts of Spondias mombin L as potential inhibitor candidates against SARS-CoV-2. We identified Geraniin and 2-O-Caffeoyl-(+)-allohydroxycitric acid as potential SARS-CoV-2 inhibitor candidates targeting the SARS-CoV-2 RNA-dependent polymerase receptor-binding domain (RBD) of SARS-CoV-2 viral S-protein and the 3C-like main protease (3CLpro). Geraniin exhibited binding free energy (ΔGbind) of - 25.87 kcal/mol and - 21.74 kcal/mol towards SARS-CoV-2 RNA-dependent polymerase and receptor-binding domain (RBD) of SARS-CoV-2 viral S-protein respectively, whereas 2-O-Caffeoyl-(+)-allohydroxycitric acid exhibited a ΔGbind of - 32 kcal/mol towards 3CLpro. Molecular Dynamics simulations indicated a possible interference to the functioning of SARS-CoV-2 targets by the two identified inhibitors. However, further in vitro and in vivo evaluation of these potential SARS-CoV-2 therapeutic inhibitor candidates is needed.

Identification and analysis of odor-active compounds from Choerospondias axillaris (Roxb.) Burtt et Hill with different moisture content levels and lacquer treatments.

The problem of indoor odors can greatly affect a room's occupants. To identify odorants and comprehensively evaluate emissions from wooden materials, emissions and odors from Choerospondias axillaris (Roxb.) Burtt et Hill with different moisture content percentages and lacquer treatments were investigated in this study. Thermal desorption-gas chromatography-mass spectroscopy/olfactometry was used to analyze the release characteristics. In total, 11 key odor-active compounds were identified as moisture content gradually decreased, concentrating between 15 and 33 min. Total volatile organic compounds, total very volatile organic compounds, and total odor intensity decreased as moisture content decreased. In addition, 35 odor-active compounds, including aromatics, alkenes, aldehydes, esters, and alcohols, were identified in the odor control list. Polyurethane (PU), ultraviolet (UV), and waterborne coatings had a good inhibitory effect on eight odor characteristics, but some scents arose after lacquer treatment. For equilibrium moisture content, the major characteristics of Choerospondias axillaris were fragrant (9.4) and mint-like (3.0) compared with the fragrant (8.2), fruity (7.8), and pleasant (5.8) characteristics of PU coating; the flowery (5.9), fragrant (5.0), glue-like (4.3), and pineapple-like (4.3) characteristics of UV coating; and the antiseptic solution (3.6), fragrant (2.9), cigarette-like (2.8), and fruity (2.5) characteristics of waterborne coating. Based on multicomponent evaluation, a Choerospondias axillaris board with waterborne coating was suggested for use indoors.