Computational Study on the Inhibitory Effect of Natural Compounds against the SARS-CoV-2 Proteins

COVID-19 is more virulent and challenging to human life. In India, the Ministry of AYUSH recommended some strategies through Siddha, homeopathy, and other methods to effectively manage COVID-19 (Guidelines for AYUSH Clinical Studies in COVID-19, 2020). Kabasura Kudineer and homeopathy medicines are in use for the prevention and treatment of COVID-19 infection; however, the mechanism of action is less explored. This study aims to understand the antagonist activity of natural compounds found in Kabasura Kudineer and homeopathy medicines against the SARS-CoV-2 using computational methods. Potential compounds were screened against NSP-12, NSP-13, NSP-14, NSP-15, main protease, and spike proteins. Structure-based virtual screening results shows that, out of 14,682 Kabasura Kudineer compounds, the 250395, 129677029, 44259583, 44259584, and 88583189 compounds and, out of 3,112 homeopathy compounds, the 3802778, 320361, 5315832, 14590080, and 74029795 compounds have good scoring function against the SARS-CoV-2 structural and nonstructural proteins. As a result of docking, homeopathy compounds have a docking score ranging from −5.636 to 13.631 kcal/mol, while Kabasura Kudineer compounds have a docking score varying from −8.290 to −13.759 kcal/mol. It has been found that the selected compounds bind well to the active site of SARS-CoV-2 proteins and form hydrogen bonds. The molecular dynamics simulation study shows that the selected compounds have maintained stable conformation in the simulation period and interact with the target. This study supports the antagonist activity of natural compounds from Kabasura Kudineer and homeopathy against SARS-CoV-2’s structural and nonstructural proteins.</p

Groundwater Quality Status of the Parambikulam Aliyar Palar Basin, Tamil Nadu, India Using RS and GIS Techniques

The dependency of ground water is rising day by day. The ground water gets recharged mainly through rainfall. Thirty five water samples were collected from Parambikulam Aliyar Palar basin from open wells, bore wells and dug cum bore wells and analysed for chemical properties such as pH, Electrical Conductivity, cations and anions for two years duration (2020 and 2021) at three months interval (summer, winter, southwest monsoon, northeast monsoon) and analysed for the quality parameters. T Electrical conductivity values were ranged from 0.3 to 5.19 dsm-1, 0.29 to 6.80 dsm-1 0.3 to 6.84 dsm-1 and 0.64 to 4.17 dsm-1 during south west, north east, winter and summer seasons of 2020, respectively. The salt content was slightly increased during winter and summers seasons as compared to south west and north east. he samples were classified under USSL classification.&nbsp; Most of the samples come under medium salinity class (C2) (48.57%) followed by low salinity class (C1), high salinity class (C4) and very high salinity class (C3) with 28.57, 14.29 and 8.57 per cent respectively in all the seasons. Majority of the samples exhibit there is no permeability hazard. Salinity persists in the basin and possibility of salt accumulation in irrigation pipes observed from LSI values. Using remote sensing and GIS technique, the mapping was done for the groundwater quality of PAP basin. The variations in the ground water quality of the basin are directly positively correlated with rainfall pattern and geology of the basin. For effective utilization of saline water in the basin, management strategies were formulated and field experiments were conducted in the farmer’s holdings in the sampling area of the basin

Mitigation Potential and Yield-Scaled Global Warming Potential of Early-Season Drainage from a Rice Paddy in Tamil Nadu, India

Water-intensive systems of rice cultivation are facing major challenges to increase rice grain yield under conditions of water scarcity while also reducing greenhouse gas (GHG) emissions. The adoption of effective irrigation strategies in the paddy rice system is one of the most promising options for mitigating GHG emissions while maintaining high crop yields. To evaluate the effect of different alternate wetting and drying (AWD) irrigation strategies on GHG emissions from paddy rice in dry and wet seasons, a field experiment was conducted at the Tamil Nadu Rice Research Institute (TRRI), Aduthurai, Tamil Nadu, India. Four irrigation treatments were included: One-AWD (one early drying period), Two-AWD (two early drying periods), Full-AWD (wetting and drying cycles throughout the rice season), and CF (continuous flooding). Different rice varieties were also tested in the experiment. In this study, we emphasized one factor (irrigation effect) that affects the dependent variable. The results show that early AWD treatments reduced methane (CH4) emissions by 35.7 to 51.5% in dry season and 18.5 to 20.1% in wet season, while full-AWD practice reduced CH4 emissions by 52.8 to 61.4% compared with CF. Full-AWD in dry season not only significantly reduced CH4 emission during that season, it also resulted in the decline of the early season emission in the succeeding wet season. Global warming potential (GWP) and yield-scaled GWP were reduced by early or full season AWD in both rice seasons. The GWP value from nitrous oxide (N2O) was relatively low compared to that from CH4 in both rice seasons. Rice yield was not affected by irrigation treatments although varietal differences in grain and straw yields were observed in both rice seasons. This study demonstrated that early season water managements are also effective in reducing CH4 and total GHG emissions without affecting rice yield