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Umm Al Quwain (UAQ) lagoon is a natural lagoon located in the northeastern part of the United Arab Emirates (UAE). Understanding the water circulation in the lagoon is essential for implementing the effective conservation measure to withstand future morphological changes. In this study, a two-dimensional hydrodynamics model is applied for UAQ lagoon using Delft3D-FM to investigate tide variability and currents within and on adjacent coastal lagoon region. The results show a maximum positive water level inside the lagoon of approximately 1.22 m relative to local mean sea level. Water levels within the vicinity of the lagoon range from − 0.95 to 1.22 m. Additionally, it was identified areas within the lagoon where currents increase up to 1.6 m/s due to the narrow inlet in the western entrances. However, most currents inside the lagoon are calmer varying from 0.1 to 0.4 m/s. The net residual currents indicate a system in equilibrium, as the import and export estimates are close to zero and can be considered negligible. The findings of this study provide a baseline study of the flow characteristics at UAQ lagoon and enable future broader research.

Cubosomes are lipid vesicles that are comparable to vesicular systems like liposomes. Cubosomes are created with certain amphiphilic lipids in the presence of a suitable stabiliser. Since its discovery and designation, self-assembled cubosomes as active drug delivery vehicles have drawn much attention and interest. Oral, ocular, transdermal, and chemotherapeutic are just a few of the drug delivery methods in which they are used. Cubosomes show tremendous potential in drug nanoformulations for cancer therapeutics because of their prospective advantages, which include high drug dispersal due to the structure of the cubic, large surface area, a relatively simple manufacturing process, biodegradability, ability to encapsulate hydrophobic, hydrophilic, and amphiphilic compounds, targeted and controlled release of bioactive agents, and biodegradability of lipids. The most typical technique of preparation is the simple emulsification of a monoglyceride with a polymer, followed by sonication and homogenisation. Top-down and bottom-up are two different sorts of preparation techniques. This review will critically analyse the composition, preparation techniques, drug encapsulation approaches, drug loading, release mechanism and applications relevant to cubosomes. Furthermore, the challenges faced in optimising various parameters to enhance the loading capacities and future potentialities are also addressed.

Contamination of soils with heavy metals (HMs) caused serious problems because plants tend to absorb HMs from the soil. In view of HM hazards to plants as well as agro-ecosystems, we executed this study to assess metal toxicity to mung bean ( Vigna radiata ) plants cultivated in soil with six treatment levels of cadmium (Cd) and nickel (Ni) and to find metal tolerant variety, i.e., M-93 (V 1 ) and M-1(V 2 ) with multifarious plant biochemical and physiological attributes. Increasing doses of Cd and Ni inhibited plant growth and photosynthesis and both varieties showed highly significant differences in the morpho-physiological attributes. V 2 showed sensitivity to Cd and Ni treatments alone or in combination. Tolerance indices for attributes presented a declined growth of Vigna plants under HM stress accompanied by highly significant suppression in gas exchange characteristics. Of single element applications, the adverse effects on mung bean were more pronounced in Cd treatments. V 1 showed much reduction in photosynthesis attributes except sub-stomatal CO 2 concentration in all treatments compared to V 2 . The yield attributes, i.e., seed yield/plant and 100-seed weight, were progressively reduced in T 5 for both varieties. In combination, we have observed increased mobility of Cd and Ni in both varieties. The results showed that water use efficiency (WUE) generally increased in all the treatments for both varieties compared to control. V 2 exhibited less soluble sugars and free amino acids compared to V 1 in all the treatments. Similarly, we recorded an enhanced total free amino acid contents in both varieties among all the metal treatments against control plants. We conclude that combinatorial treatment proved much lethal for Vigna plants, but V 1 performed better than V 2 in counteracting the adverse effects of Cd and Ni.

Copper (Cu) is an important micronutrient for a plant’s normal growth and development. However, excess amount of Cu in the soil causes many severe problems in plants—which ultimately affect crop productivity and yield. Moreover, excess of Cu contents causes oxidative damage in the plant tissues by generating excess of reactive oxygen species (ROS). The present experiment was designed to investigate the phytoextraction potential of Cu, morpho-physiological features and biochemical reaction of jute (Corchorus capsularis L.) seedlings using ethylenediaminetetraacetic acid (EDTA) of 3 mM under different Cu levels (0 (control), 50 and 100 μM) in a hydroponic nutrient solution (Hoagland). Our results showed that elevated Cu rates (50 and 100 μM) in the nutrient solution significantly reduced plant height, fresh and dry biomass, total chlorophyll content and gaseous exchange attributes in C. capsularis seedlings. As the concentration of Cu in the medium increased (50 and 100 μM), the level of malondialdehyde (MDA) and oxidative stress in C. capsularis seedlings also increased, which could have been controlled by antioxidant activity in particular plant cells. In addition, rising Cu concentration in the nutrient solution also increased Cu uptake and accumulation in roots and leaves as well as affected the ultrastructure of chloroplast of C. capsularis seedlings. The addition of EDTA to the nutrient solution significantly alleviated Cu toxicity in C. capsularis seedlings, showing a significantly increase in plant growth and biomass. MDA contents was not significantly increased in EDTA-induced plants, suggesting that this treatment was helpful in capturing ROS and thereby reducing ROS in in C. capsularis seedlings. EDTA modification with Cu, although the bioaccumulation factor in roots and leaves and translocation factor for the leaves of C. capsularis seedlings has significantly increased. These results indicate that C. capsularis has considerable potential to cope with Cu stress and is capable of removing a large quantity of Cu from the Cu-contaminated soil while using EDTA is a useful strategy to increase plant growth and biomass with Cu absorption capabilities.

Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is a severe pandemic of the current century. The vicious tentacles of the disease have been disseminated worldwide with unknown complications and repercussions. Advanced COVID-19 syndrome is characterized by the uncontrolled and elevated release of pro-inflammatory cytokines and suppressed immunity, leading to the cytokine storm. The uncontrolled and dysregulated secretion of inflammatory and pro-inflammatory cytokines is positively associated with the severity of the viral infection and mortality rate. The secretion of various pro-inflammatory cytokines such as TNF-α, IL-1, and IL-6 leads to a hyperinflammatory response by recruiting macrophages, T and B cells in the lung alveolar cells. Moreover, it has been hypothesized that immune cells such as macrophages recruit inflammatory monocytes in the alveolar cells and allow the production of large amounts of cytokines in the alveoli, leading to a hyperinflammatory response in severely ill patients with COVID-19. This cascade of events may lead to multiple organ failure, acute respiratory distress, or pneumonia. Although the disease has a higher survival rate than other chronic diseases, the incidence of complications in the geriatric population are considerably high, with more systemic complications. This review sheds light on the pivotal roles played by various inflammatory markers in COVID-19-related complications. Different molecular pathways, such as the activation of JAK and JAK/STAT signaling are crucial in the progression of cytokine storm; hence, various mechanisms, immunological pathways, and functions of cytokines and other inflammatory markers have been discussed. A thorough understanding of cytokines’ molecular pathways and their activation procedures will add more insight into understanding immunopathology and designing appropriate drugs, therapies, and control measures to counter COVID-19. Recently, anti-inflammatory drugs and several antiviral drugs have been reported as effective therapeutic drug candidates to control hypercytokinemia or cytokine storm. Hence, the present review also discussed prospective anti-inflammatory and relevant immunomodulatory drugs currently in various trial phases and their possible implications.

The ongoing pandemic of Coronavirus Disease 2019 (COVID-19) has posed a serious threat to global public health. Drug repurposing is a time-efficient approach to finding effective drugs against SARS-CoV-2 in this emergency. Here, we present a robust experimental design combining deep learning with molecular docking experiments to identify the most promising candidates from the list of FDA-approved drugs that can be repurposed to treat COVID-19. We have employed a deep learning-based Drug Target Interaction (DTI) model, called DeepDTA, with few improvements to predict drug-protein binding affinities, represented as KIBA scores, for 2440 FDA-approved and 8168 investigational drugs against 24 SARS-CoV-2 viral proteins. FDA-approved drugs with the highest KIBA scores were selected for molecular docking simulations. We ran around 50,000 docking simulations for 168 selected drugs against 285 total predicted and/or experimentally proven active sites of all 24 SARS-CoV-2 viral proteins. A list of 49 most promising FDA-approved drugs with the best consensus KIBA scores and binding affinity values against selected SARS-CoV-2 viral proteins was generated. Most importantly, 16 drugs including anidulafungin, velpatasvir, glecaprevir, rifapentine, flavin adenine dinucleotide (FAD), terlipressin, and selinexor demonstrated the highest predicted inhibitory potential against key SARS-CoV-2 viral proteins. We further measured the inhibitory activity of 5 compounds (rifapentine, velpatasvir, glecaprevir, anidulafungin, and FAD disodium) on SARS-CoV-2 PLpro using Ubiquitin-Rhodamine 110 Gly fluorescent intensity assay. The highest inhibition of PLpro activity was seen with rifapentine (IC50: 15.18 μM) and FAD disodium (IC50: 12.39 μM), the drugs with high predicted KIBA scores and binding affinities. [Display omitted] •Drug repurposing to treat Covid, combining both deep learning and molecular docking simulations.•A deep learning model called DeepDTA with few improvements have been utilized.•AutoDock based platform Virtualflow has been employed to execute around 50,000 docking simulations.•Predicted drug-protein binding affinities, represented as KIBA scores, for 2440 FDA approved drugs.•Experimentally validated the inhibitory activity of selected drugs against PLpro enzyme.

The release of harmful wastes via different industrial activities is the main cause of heavy metal toxicity. The present study was conducted to assess the effects of heavy metal stress on the plant growth traits, antioxidant enzyme activities, chlorophyll content and proline content of Sesbania sesban with/without the inoculation of heavy-metal-tolerant Bacillus gibsonii and B. xiamenensis. Both PGP strains showed prominent ACC-deaminase, indole acetic acid, exopolysaccharides production and tolerance at different heavy metal concentrations (50–1000 mg/L). Further, in a pot experiment, S. sesban seeds were grown in contaminated and noncontaminated soils. After harvesting, plants were used for the further analysis of growth parameters. The experiment comprised of six different treatments. The effects of heavy metal stress and bacterial inoculation on the plant root length; shoot length; fresh and dry weight; photosynthetic pigments; proline content; antioxidant activity; and absorption of metals were observed at the end of the experiment. The results revealed that industrially contaminated soils distinctly reduced the growth of plants. However, both PGPR strains enhanced the root length up to 105% and 80%. The shoot length was increased by 133% and 75%, and the fresh weight was increased by 121% and 129%. The proline content and antioxidant enzymes posed dual effects on the plants growing in industrially contaminated soil, allowing them to cope with the metal stress, which enhanced the plant growth. The proline content was increased up to 190% and 179% by the inoculation of bacterial strains. Antioxidant enzymes, such as SOD, increased to about 216% and 245%, while POD increased up to 48% and 49%, respectively. The results clearly show that the utilized PGPR strains might be strong candidates to assist S. sesban growth under heavy metal stress conditions. We highly suggest these PGPR strains for further implementation in field experiments.

The goal of an antiviral agent research is to find an antiviral drug that reduces viral growth without harming healthy cells. Transformations of the virus, new viral strain developments, the resistance of viral pathogens, and side effects are the current challenges in terms of discovering antiviral drugs. The time has come and it is now essential to discover a natural antiviral agent that has the potential to destroy viruses without causing resistance or other unintended side effects. The pharmacological potency of thymoquinone (TQ) against different communicable and non-communicable diseases has been proven by various studies, and TQ is considered to be a safe antiviral substitute. Adjunctive immunomodulatory effects in addition to the antiviral potency of TQ makes it a major compound against viral infection through modulating the production of nitric oxide and reactive oxygen species, decreasing the cytokine storm, and inhibiting endothelial dysfunction. Nevertheless, TQ’s low oral bioavailability, short half-life, poor water solubility, and conventional formulation are barriers to achieving its optimal pharmacologic benefits. Nano-formulation proposes numerous ways to overcome these obstacles through a small particle size, a big surface area, and a variety of surface modifications. Nano-based pharmaceutical innovations to combat viral infections using TQ are a promising approach to treating surmounting viral infections.

COVID-19 household transmissibility remains unclear in Pakistan. To understand the dynamics of Severe Acute Respiratory Syndrome Coronavirus disease epidemiology, this study estimated Secondary Attack Rate (SAR) among household and close contacts of index cases in Pakistan using a statistical transmission model. A retrospective cohort study was conducted using an inclusive contact tracing dataset from the provinces of Punjab and Khyber-Pakhtunkhwa to estimate SAR. We considered the probability of an infected person transmitting the infection to close contacts regardless of residential addresses. This means that close contacts were identified irrespective of their relationship with the index case. We assessed demographic determinants of COVID-19 infectivity and transmissibility. For this purpose based on evolving evidence, and as CDC recommends fully vaccinated people get tested 5-7 days after close contact with a person with suspected or confirmed COVID-19. Therefore we followed the same procedure in the close contacts for secondary infection. During the study period from 15th May 2020 to 15th Jan 2021, a total of 339 (33.9%) index cases were studied from 1000 cases initially notified. Among close contact groups (n = 739), households were identified with an assumed mean incubation period of 8.2+4.3 days and a maximum incubation period of 15 days. SAR estimated here is among the household contacts. 117 secondary cases from 739 household contacts, with SAR 11.1% (95% CI 9.0-13.6). All together (240) SAR achieved was 32.48% (95% CI; 29.12-37.87) for symptomatic and confirmed cases. The potential risk factors for SAR identified here included; old age group (>45 years of age), male (gender), household members >5, and residency in urban areas and for index cases high age group. Overall local reproductive number (R) based on the observed household contact frequencies for index/primary cases was 0.9 (95% CI 0.47-1.21) in Khyber Pakhtunkhwa and 1.3 (95% CI 0.73-1.56) in Punjab. SAR estimated here was high especially in the second phase of the COVID-19 pandemic in Pakistan. The results highlight the need to adopt rigorous preventive measures to cut the chain of viral transmission and prevent another wave of COVID-19.

The Crimean Congo virus has been reported to be a part of the spherical RNA-enveloped viruses from the Bunyaviridae family. Crimean Congo fever (CCHF) is a fatal disease with having fatality rate of up to 40%. It is declared endemic by the World Health Organization. Many outbreaks of CCHF have been reported over the years. Former studies on CCHF have reported that the nucleoprotein of CCHF, being a pivotal protein in the replication process of the virus, is a potential target for antiviral drugs. However, there is no specific drug that can be used to treat this fatal disease and laboratory testing is prohibited due to its pathogen level 4. This study aims to find a possible potential inhibitor of the nucleoprotein of CCHFV using modern techniques leading ultimately to the development of effective and natural drugs. In this study, a virtual screening procedure involving a docking process followed by the Molecular Dynamics method is used to find out the potential inhibitors of the nucleoprotein of CCHFV. Phytochemicals having pharmacological properties and approved by the Food and Drug Administration are docked over the nucleoprotein of CCHFV. The study signifies the use of Withanolide E as a drug for the treatment of CCHFV as the study depicts the potential of Withanolide E to inhibit the nucleoprotein of CCHFV using reliable and modern techniques.