Current Update of Phytotherapeutic Agents in the Treatment of COVID-19: In-Silico Based Virtual Screening Approach for the Development of Antiviral Drug.

COVID-19, caused by the severe acquired respiratory syndrome coronavirus-2 (SARS-CoV-2), is a highly contagious disease that has emerged as a pandemic. Researchers and the medical fraternity are working towards the identification of anti-viral drug candidates. Meanwhile, several alternative treatment approaches are being explored to manage the disease effectively. Various phyto-drugs and essential oils have been reported to have antiviral activity, but this has not been well studied in the context of SARS-CoV-2. The main focus of this review is on the biology of infection and the different therapeutic strategies involved, including drug repurposing and phytopharmaceuticals. The role of phytochemicals in treating COVID-19 and various other diseases has also been emphasized.

Locked out of livelihoods: impact of COVID-19 on single women farmers in Maharashtra, India.

This article examines the impact of COVID-19 on the livelihoods of widows and other single women farmers from the most backward districts of Maharashtra, a state in western India. COVID-19 led to food insecurity, loss of farm incomes, decline in employment opportunities and increased debt traps for single women farmers. The paper highlights how agrarian distress and pre-existing inequalities of class, caste and gender in access to food, incomes, credit, land, markets, and decision making, were exacerbated during the pandemic, further impoverishing these women farmers. To trace these effects, the paper draws on two types of evidence gathered in Maharashtra by MAKAAM, an informal all-India women farmer's forum: observations during multiple rounds of interactions with over a hundred women farmers during the COVID-support work of providing ration and seeds undertaken by MAKAAM during India's national lockdown in 2020, and a subsequent large-scale survey covering about a thousand women. The paper also focuses on the inadequacy of state response, both in terms of providing relief and in its ability to partner with women's collectives and grassroots organisations for better outcomes. The article makes a case for strengthening social security measures for women farmers and enhancing their access to productive resources, agricultural programmes and decision-making spaces in relevant institutions.

Characterization of Phytochemicals in Ulva intestinalis L. and Their Action Against SARS-CoV-2 Spike Glycoprotein Receptor-Binding Domain.

Coronavirus disease-2019 (COVID-19) has caused a severe impact on almost all aspects of human life and economic development. Numerous studies are being conducted to find novel therapeutic strategies to overcome COVID-19 pandemic in a much effective way. Ulva intestinalis L. (Ui), a marine microalga, known for its antiviral property, was considered for this study to determine the antiviral efficacy against severe acute respiratory syndrome-associated Coronavirus-2 (SARS-CoV-2). The algal sample was dried and subjected to ethanolic extraction, followed by purification and analysis using gas chromatography-coupled mass spectrometry (GC-MS). Forty-three known compounds were identified and docked against the S1 receptor binding domain (RBD) of the spike (S) glycoprotein. The compounds that exhibited high binding affinity to the RBD of S1 protein were further analyzed for their chemical behaviour using conceptual density-functional theory (C-DFT). Finally, pharmacokinetic properties and drug-likeliness studies were carried out to test if the compounds qualified as potential leads. The results indicated that mainly phenols, polyenes, phytosteroids, and aliphatic compounds from the extract, such as 2,4-di-tert-butylphenol (2,4-DtBP), doconexent, 4,8,13-duvatriene-1,3-diol (DTD), retinoyl-ß-glucuronide 6',3'-lactone (RBGUL), and retinal, showed better binding affinity to the target. Pharmacokinetic validation narrowed the list to 2,4-DtBP, retinal and RBGUL as the possible antiviral candidates that could inhibit the viral spike protein effectively.

Understanding the influence of lipid bilayers and ligand molecules in determining the conformational dynamics of somatostatin receptor 2.

Somatostatin receptor 2 (SSTR2) is a G-protein coupled receptor (GPCR) that controls numerous cellular processes including cell-to-cell signaling. In this study, we report how the lipid and ligand molecules influence the conformational dynamics of the membrane-bound SSTR2. Molecular simulations of different holo and apoenzyme complexes of SSTR2 in the presence and absence of a lipid bilayer were performed, observed, and correlated with previously reported studies. We identified the important SSTR2 residues that take part in the formation of the SSTR2-ligand complex. On analyzing the molecular simulation trajectories, we identified that the residue D3.32 is crucial in determining the bioactive conformation of SSTR2 ligands in the binding site. Based on the results, we suggest that designing a novel SSTR2 ligand with an H-bond donor group at the R1 position, and hydrophobic groups at R2 and R3 might have higher activity and SSTR2-selectivity. We analyzed the simulated systems to identify other important structural features involved in SSTR2-ligand binding and to observe the different conformational changes that occur in the protein after the ligand binding. Additionally, we studied the conformational dynamics of N- and C-terminal regions of SSTR2 in the presence and absence of the lipid bilayer. Both the systems were compared to understand the influence of lipid molecules in the formation of secondary structural domains by these extracellular regions. The comparative study revealed that the secondary structural elements formed by C-terminal residues in presence of lipid molecules is crucial for the functioning of SSTR2. Our study results highlight the structural complexities involved in the functioning of SSTR upon binding with the ligands in the presence and absence of lipid bilayer, which is essential for designing novel drug targets.

Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein.

COVID-19, caused by SARS-CoV-2 has recently emerged as a global pandemic. Intense efforts are ongoing to find a vaccine or a drug to control the disease across the globe. Meanwhile, alternative therapies are also being explored to manage the disease. Phytochemicals present in essential oils are promising candidates which have been known to possess wide range of therapeutic activities. In this study, major components of several essential oils which are known for their antimicrobial properties have been docked against the S1 receptor binding domain of the spike (S) glycoprotein, which is the key target for novel antiviral drugs, to ascertain their inhibitory effects based on their binding affinities. It has been found that some monoterpenes, terpenoid phenols and phenyl propanoids such as anethole, cinnamaldehyde, carvacrol, geraniol, cinnamyl acetate, L-4-terpineol, thymol and pulegone from essential oils extracted from plants belonging to families such as Lamiaceae, Lauraceae, Myrtaceae, Apiaceae, Geraniaceae and Fabaceae are effective antiviral agents that have potential to inhibit the viral spikeprotein.

The evaluation of a sanitation intervention on sanitation-related emotional and psychological well-being among women and girls in Bihar

Public health externalities from unhygienic sanitation remain a significant development challenge, even in areas where hygienic latrines are accessible or affordable. Our partner, Sanergy has created a network of hygienic latrines in Nairobi. However, as with many other technical solutions to a range of development problems, widespread adoption of this "clean toilet" option has been a challenge. Barriers such as distance, cost, long queues, or lack of understanding of health risks may preclude individuals from choosing the sanitation option that may be better from a public health point of view. We also hypothesize that behaviors like open defecation may persist because they represent ingrained habits that are difficult to change. Inspired by findings from psychology and neuroscience, we propose field experiments that are designed to instill a revised habit of community toilet use among the slum population of Nairobi. Habit loops have been successfully created by private sector firms to increase demand for many household products and behaviors such as brushing regularly with Pepsodent toothpaste, or spraying Febreze air freshener. We propose to create such a loop for Sanergy toilets using a combination of economic incentives and a marketing campaign that is attentive to psychological cues and rewards. The experiments are designed to separate habit formation from other closely related models of risk aversion and learning.