Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a novel corona virus that causes corona virus disease 2019 (COVID-19). The COVID-19 rapidly spread across the nations with high mortality rate even as very little is known to contain the virus at present. In the current study, we report novel natural metabolites namely, ursolic acid, carvacrol and oleanolic acid as the potential inhibitors against main protease (M pro) of COVID-19 by using integrated molecular modeling approaches. From a combination of molecular docking and molecular dynamic (MD) simulations, we found three ligands bound to protease during 50 ns of MD simulations. Furthermore, the molecular mechanic/generalized/ Born/Poisson-Boltzmann surface area (MM/G/P/BSA) free energy calculations showed that these chemical molecules have stable and favourable energies causing strong binding with binding site of M pro protein. All these three molecules, namely, ursolic acid, carvacrol and oleanolic acid, have passed the ADME (Absorption, Distribution, Metabolism, and Excretion) property as well as Lipinski's rule of five. The study provides a basic foundation and suggests that the three phytochemicals, viz. ursolic acid, carvacrol and oleanolic acid could serve as potential inhibitors in regulating the M pro protein's function and controlling viral replication.
Several flavonoids have been recognized as nutraceuticals, and myricetin is a good example. Myricetin is commonly found in plants and their antimicrobial and antioxidant activities is well demonstrated. One of its beneficial biological effects is the neuroprotective activity, showing preclinical activities on Alzheimer, Parkinson, and Huntington diseases, and even in amyotrophic lateral sclerosis. Also, myricetin has revealed other biological activities, among them as antidiabetic, anticancer, immunomodulatory, cardiovascular, analgesic and antihypertensive. However, few clinical trials have been performed using myricetin as nutraceutical. Thus, this review provides new insights on myricetin preclinical pharmacological activities, and role in selected clinical trials.
TFs involved in drought tolerance in plants may be utilized in future for developing drought tolerant cultivars of wheat and some other crops. Plants have developed a fairly complex stress response system to deal with drought and other abiotic stresses. These response systems often make use of transcription factors (TFs); a gene encoding a specific TF together with -its target genes constitute a regulon, and take part in signal transduction to activate/silence genes involved in response to drought. Since, five specific families of TFs (out of >80 known families of TFs) have gained widespread attention on account of their significant role in drought tolerance in plants, TFs and regulons belonging to these five multi-gene families (AP2/EREBP, bZIP, MYB/MYC, NAC and WRKY) have been described and their role in improving drought tolerance discussed in this brief review. These TFs often undergo reversible phosphorylation to perform their function, and are also involved in complex networks. Therefore, some details about reversible phosphorylation of TFs by different protein kinases/phosphatases and the co-regulatory networks, which involve either only TFs or TFs with miRNAs, have also been discussed. Literature on transgenics involving genes encoding TFs and that on QTLs and markers associated with TF genes involved in drought tolerance has also been reviewed. Throughout the review, there is a major emphasis on wheat as an important crop, although examples from the model cereal rice (sometimes maize also), and the model plant Arabidopsis have also been used. This knowledge base may eventually allow the use of TF genes for development of drought tolerant cultivars, particularly in wheat.
Heterobis(carbene)
complexes of palladium(II) and gold(I) containing expanded-ring N-heterocyclic
carbenes (erNHCs) have been prepared in order to study their electronic
properties. erNHCs with mesityl substituents were found to exhibit
anisotropic interferences, which hampered ranking of their donicities
by 13C NMR spectroscopy. The anisotropy effects were found
to be stronger in the linear gold complexes, where a smaller coordination
number allows the wingtips to spread out more. erNHCs with flexible N-benzyl groups are more suitable, and their donor strengths
were found to gradually increase from five- to seven-membered heterocycles.
The same trend can also be obtained by comparing the 1
J(C–H) coupling constants of the respective salts,
although significant differences between seven- and eight-membered
erNHCs could not be detected. The %V
bur values of erNHCs obtained from structures of their palladium and
gold complexes revealed that the anisotropic interferences increase
with overall steric bulk.
In bread wheat, high grain protein content (GPC) determines nutritional value, processing properties and quality of the end-product. In view of this, marker-assisted selection (MAS) was performed for introgression of a major gene for high GPC (Gpc-B1) into 10 wheat genotypes. As a result, 124 BC 3 F 5 /F 6 progenies with Gpc-B1 were developed and evaluated in multi-location field trials. Significant interaction of Gpc-B1 with the recipient parent genotypes and the environment was noticed. However, a total of seven MASderived progenies with significantly higher GPC (14.83-17.85%) than their recipient parental genotypes and having no yield penalty were obtained. In these selected progenies, no significant negative correlation of grain yield with GPC (%) or protein yield was observed suggesting that GPC could be improved without yield penalty. This study thus suggested that MAS in combination with phenotypic selection is a useful strategy for development of wheat genotypes with high GPC associated with no loss in yield.
Cellphones have the potential to improve education for the millions of underprivileged users in the developing world. However, mobile learning in developing countries remains under-studied. In this paper, we argue that cellphones are a perfect vehicle for making educational opportunities accessible to rural children in places and times that are more convenient than formal schooling. We carried out participant observations to identify the opportunities in their everyday lives for mobile learning. We next conducted a 26-week study to investigate the extent to which rural children will voluntarily make use of cellphones to access educational content. Our results show a reasonable level of academic learning and motivation. We also report on the social context around these results. Our goal is to examine the feasibility of mobile learning in out-of-school settings in rural, underdeveloped areas, and to help more researchers learn how to undertake similarly difficult studies around mobile computing in the developing world.
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