Highlights Web server for MD-TASK and MODE-TASK, with new tools and updates. Eight dynamic residue network centrality metrics for analyzing protein molecular dynamics, extended for static proteins. Comparative essential dynamics for improved comparison of independent molecular dynamic simulations of related proteins. A communication propensity tool for evaluating residue communication efficiency. Normal mode analysis of proteins from static structures and molecular dynamic simulations.

Metabolic syndrome (MetS) is a prevalent, multifactorial and complex disease that is associated with an increased risk of developing diabetes and other major cardiovascular complications. The rise in the global prevalence of MetS has been attributed to genetic, epigenetic, and environmental factors. The adoption of sedentary lifestyles that are characterized by low physical activity and the consumption of high-energy diets contributes to MetS development. Current management criteria for MetS risk factors involve changes in lifestyle and the use of pharmacological agents that target specific biochemical pathways involved in the metabolism of nutrients. Pharmaceutical drugs are usually expensive and are associated with several undesirable side effects. Alternative management strategies of MetS risk factors involve the use of medicinal plants that are considered to have multiple therapeutic targets and are easily accessible. Medicinal plants contain several different biologically active compounds that provide health benefits. The impact of phytochemicals present in local medicinal plants on sustainable health and well-being of individuals has been studied for many years and found to involve a plethora of complex biochemical, metabolic, and physiological mechanisms. While some of these phytochemicals are the basis of mainstream prescribed drugs (e.g., metformin, reserpine, quinine, and salicin), there is a need to identify more medicinal plants that can be used for the management of components of MetS and to describe their possible mechanisms of action. In this review, we assess the potential health benefits of South African ethnomedicinal plants in protecting against the development of health outcomes associated with MetS. We aim to provide the state of the current knowledge on the use of medicinal plants and their therapeutically important phytochemicals by discussing the current trends, with critical examples from recent primary references of how medicinal plants are being used in South African rural and urban communities.

Estimating species population density directly contributes to the conservation of species. As keystone species, carnivores are important to conserve; however, estimating density of wide‐ranging, elusive and solitary carnivores has proven difficult. The leopard (Panthera pardus) is the last large free‐roaming top carnivore in South Africa, and no formal density study had been conducted across the Eastern and Western Cape. We estimated leopard density and abundance using GPS data from 21 collared leopards and a spatially explicit capture–mark–recapture (SECR) method with camera trap survey data. Four regional sites were surveyed using 173 camera trap locations over 15,390 camera trap days, capturing 740 leopard images of which 77 individuals were identified. SECR averaged 0.95 leopards/100 km2 and the two GPS methods averaged 1 and 1.11 leopards/100 km2. Based on predicted available leopard habitat for the region, leopard abundance was estimated between 467 (±112.8) and 553 (±168.8) in the Western Cape and between 365 (±93.2) and 430 (±139.9) in the Eastern Cape. Discrepancies in density estimates can be complex stemming from biological behaviour, anthropogenic factors and prey density. However, our estimates appear to show relatively little variation, suggesting that SECR methods and GPS data capture the population density estimates of the species well.

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The succulent thicket of the Eastern Cape, South Africa, is characterized by densely wooded vegetation that is dominated by succulents with little understory of ephemeral and weakly perennial grasses and forbs. Studies have developed around the question: how do bulk grazers such as the African buffalo (Syncerus caffer) survive in the succulent thicket? In this study, the diet of the African buffalo at the Great Fish River Reserve (GFRR) was studied in two seasons (wet and dry). The diet profile was assessed from faecal matter, using the micro‐histological analysis method. During the wet season, grass species contributed 72% to the diet while 28% was contributed by browse species. In the dry season there was a significant increase in the intake of browse by 5% (χ2 = 19.94, df = 11, P < 0.05). There were species that were neglected in the wet season but became principal dietary items in the dry season, these included Setaria neglecta, Cymbopogon plurinodis, Capparis sepiaria and Portulacaria afra. Diet quality, as estimated from faecal samples, suggested that the buffalo were nutritionally stable; however, the presence of sarcoptic mange in the buffalo suggests nutritional stress.

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Apex predators play a critical role in maintaining the health of ecosystems but are highly susceptible to habitat degradation and loss caused by land-use changes, and to anthropogenic mortality. The leopard Panthera pardus is the last free-roaming large carnivore in the Western Cape province, South Africa. During 2011–2015, we carried out a camera-trap survey across three regions covering c. 30,000 km2 of the Western Cape. Our survey comprised 151 camera sites sampling nearly 14,000 camera-trap nights, resulting in the identification of 71 individuals. We used two spatially explicit capture–recapture methods (R programmes secr and SPACECAP) to provide a comprehensive density analysis capable of incorporating environmental and anthropogenic factors. Leopard density was estimated to be 0.35 and 1.18 leopards/100 km2, using secr and SPACECAP, respectively. Leopard population size was predicted to be 102–345 individuals for our three study regions. With these estimates and the predicted available leopard habitat for the province, we extrapolated that the Western Cape supports an estimated 175–588 individuals. Providing a comprehensive baseline population density estimate is critical to understanding population dynamics across a mixed landscape and helping to determine the most appropriate conservation actions. Spatially explicit capture–recapture methods are unbiased by edge effects and superior to traditional capture–mark–recapture methods when estimating animal densities. We therefore recommend further utilization of robust spatial methods as they continue to be advanced.

This paper reviews the properties of the most cultivated species of the Moringaceae family, Moringa oleifera Lam. The paper takes a critical look at the positive and the associated negative properties of the plant, with particular emphasis on its chemistry, selected medicinal and nutritional properties, as well as some ecological implications of the plant. The review highlights the importance of glucosinolates (GS) compounds which are relatively unique to the Moringa species family, with glucomoriginin and its acylated derivative being the most abundant. We highlight some new research findings revealing that not all M. oleifera cultivars contain an important flavonoid, rutin. The review also focuses on phenolic acids, tannin, minerals and vitamins, which are in high amounts when compared to most vegetables and fruits. Although there are numerous benefits of using M. oleifera for medicinal purposes, there are reports of contraindications. Nonetheless, we note that there are no major harmful effects of M. oleifera that have been reported by the scientific community. M. oleifera is suspected to be potentially invasive and moderately invasive in some regions of the world because of its ability to grow in a wide range of environmental conditions. However, the plant is currently classified as a low potential invasive species and thus there is a need to constantly monitor the species. Despite the numerous benefits associated with the plant, there is still a paucity of data on clinical trials proving both the positive and negative effects of the plant. We recommend further clinical trials to ascertain the properties associated with the plant, especially regarding long term use.