Emergence of toxic trace elements in plant environment: Insights into potential of silica nanoparticles for mitigation of metal toxicity in plants.

Emergence of trace elements at potentially toxic concentrations in the environment has become a global issue in recent times. Owing to the rapid population growth, unregulated industrialisation, intensive farming practices and excessive mining activities, these elements are accumulating in environment at high toxic concentrations. The exposure of plants to metal-contaminated environments severely influences their reproductive and vegetative growth, eventually affecting crop performance and production. Hence, it is crucial to find alternatives to mitigate the stress caused by toxic elements, in plants of agricultural importance. In this context, silicon (Si) has been widely recognized to alleviate metal toxicity and promote plant growth during various stress conditions. Amending soil with silicates has shown to ameliorate the lethal effects of metals and stimulates crop development. However, in comparison to silicon in bulk form, nano-sized silica particles (SiNPs) have been demonstrated to be more efficient in their beneficial roles. SiNPs can be used for various technological applications, viz. Improving soil fertility, agricultural yield, and remediating heavy metal-polluted soil. The research outcomes of studies focussing on role of silica nanoparticles to specifically mitigate the metal toxicity in plants have not been reviewed earlier in depth. The aim of this review is to explore the potential of SiNPs in alleviating metal stress and improving plant growth. The benefits of nano-silica over bulk-Si fertilizers in farming, their performance in diverse plant varieties, and the possible mechanisms to mitigate metal toxicity in plants have been discussed in detail. Further, research gaps are identified and future prospects are envisioned for advanced investigations in this field. The growing interest towards nano-silica related research will facilitate exploration of the true prospective of these nanoparticles for mitigation of metal stress in crops and in other fields of agriculture as well.

DNA dyes: toxicity, remediation strategies and alternatives.

Release of untreated effluent from processing or manufacturing industries and other commercial premises into water bodies is a major threat to environment and human health. In this regard, the effluent generated from laboratories and other research facilities is of great concern. Among other harmful chemicals, the effluent is rich in toxic organic dyes, which get exposed to the environment and pose serious health risk. The dyes used in nucleic acid analysis specially the DNA dyes are known for their teratogenicity and mutagenic potential, which mainly depends upon the organism and circumstances under which it is exposed. Among animals and humans, exposure to theses dyes may lead to irritation in mouth, eyes and respiratory tract and many other possible effects which are yet to be explored. To overcome these problems, dyes present in the effluents from laboratories must be degraded to non-toxic forms. Various strategies have been proposed and investigated for degradation and remediation of contaminated laboratory effluent. As a modern and cost-effective technique, biodegradation using microbes and plants is potentially eco-friendly and sustainable technique for detoxifying these dyes. In this article, we have discussed and reviewed the structure, properties and toxicity profile of prominent nucleic acid dyes, along with the strategies of remediation of laboratory effluents contaminated with these dyes. In addition, we have also discussed the feasibility and limitations of these remediation strategies and identified research gaps that can help researchers to explore more effective solutions to manage this area of great concern. We have also reviewed various less toxic alternatives of these common as safer options of these dyes.

Dynamic residue interaction network analysis of the oseltamivir binding site of N1 neuraminidase and its H274Y mutation site conferring drug resistance in influenza A virus.

BACKGROUND: Oseltamivir (OTV)-resistant influenza virus exhibits His-to-Tyr mutation at residue 274 (H274Y) in N1 neuraminidase (NA). However, the molecular mechanisms by which the H274Y mutation in NA reduces its binding affinity to OTV have not been fully elucidated. METHODS: In this study, we used dynamic residue interaction network (dRIN) analysis based on molecular dynamics simulation to investigate the correlation between the OTV binding site of NA and its H274Y mutation site. RESULTS: dRIN analysis revealed that the OTV binding site and H274Y mutation site of NA interact via the three interface residues connecting them. H274Y mutation significantly enhanced the interaction between residue 274 and the three interface residues in NA, thereby significantly decreasing the interaction between OTV and its surrounding loop 150 residues. Thus, we concluded that such changes in residue interactions could reduce the binding affinity of OTV to NA, resulting in drug resistant influenza viruses. Using dRIN analysis, we succeeded in understanding the characteristic changes in residue interactions due to H274Y mutation, which can elucidate the molecular mechanism of reduction in OTV binding affinity to influenza NA. Finally, the dRIN analysis used in this study can be widely applied to various systems such as individual proteins, protein-ligand complexes, and protein-protein complexes, to characterize the dynamic aspects of the interactions.

Identification of Potent VEGF Inhibitors for the Clinical Treatment of Glioblastoma, A Virtual Screening Approach.

Vascular endothelial growth factor (VEGF) expression could be found in all glioblastomas. VEGF takes part in numerous changes including the endothelial cell proliferation, the vasculature of solid tumor: its survival invasion, and migration, chemotaxis of bone marrow-derived progenitor cells, vasodilation and vascular permeability. VEGF inhibition can be a smart therapeutic strategy because it is extremely specific and less toxic than cytotoxic therapy. To establish better inhibition of VEGF than the current inhibitors, present study approach is by molecular docking, virtual screening to illustrate the inhibitor with superior affinity against VEGF to have a cautious pharma profile. To retrieve the best established and high-affinity high affinity molecule, Molegro Virtual Docker software was executed. The high-affinity scoring compounds were subjected to further similarity search to retrieve the drugs with similar properties from pubchem database. The completion of virtual screening reveals that PubChem compound SCHEMBL1250485 (PubChem CID: 66965667) has the highest affinity. The study of the drug-likeness was verified using OSIRIS Property Explorer software which supported the virtual screened result. Further ADMET study and drug comparative study strongly prove the superiority of the new established inhibitor with lesser rerank score and toxicity. Overall, the new inhibitor has higher potential to stop the expression of VEGF in glioblastoma and positively can be further analysed through In vitro studies.

Exploring diverse wheat germplasm for novel alleles in HMW-GS for bread quality improvement.

Wheat is one of the most important cereals used worldwide in the form of a range of products. Crop landraces have been an immense source of diversity for the breeders. In the present study, 517 Indian wheat landraces have been observed for the difference in bread making quality by assessing allelic behaviour of high molecular weight-glutenin subunits (HMW-GS). A total of 33 Glu-1 alleles (3 at Glu-A1, 15 at Glu-B1 and 15 at Glu-D1) were detected in wheat landraces. Allelic frequency of HMW-GS allelic band pattern null, 17 + 18, 2 + 12 (24.75%) was found to be the highest. Allelic frequency of HMW-GS allele null (68.27%) at Glu-A1, 17 + 18 (49.14%) at Glu-B1, and 2 + 12 (72.81%) at Glu-D1 was found to be the highest Five Novel alleles were identified at Glu-D1 locus, 12*, 12.1, 12.1*, 12.2 and 12.3. As Glu-D1 has highest quality contribution as compared to Glu-A1 and Glu-B1, reporting novel alleles at Glu-D1 represents that genetic variability available for selection is increased and it will provide tools for breeders to further improve dough properties and bread making quality.

Clinicoetiological Pattern and Outcome of Neonates Requiring Mechanical Ventilation: Study in a Tertiary Care Centre.

The clinical and etiological pattern of ventilated newborns, their outcome in relation to morbidity and mortality was studied with 50 ventilated newborns, including outborns. M:f ratio was 2.1:1. The most common gestational age 28-36 weeks (60%) and mostly were appropriate for gestational age (66%). Survival rate 40% (20/50) being directly proportional to the gestational age and intrauterine growth pattern (P < 0.01). Babies by LSCS Lower Segment Cessarian Section survived more than born by normal vaginal delivery (46.7% vs. 37.1%). More outborn survival could be related to their advanced gestational age on presentation. The initial assessment of APGAR score of >7 had a better outcome (56.3%; P < 0.03). The most common indication of ventilation was hyaline membrane disease (19/50) but the survival rate best in babies with meconium aspiration syndrome (54.5%). The most prevalent complication was sepsis (survival rate 60%) while conditions such as shock, intraventricular hemorrhage, disseminated intravascular coagulation, air leak syndrome, and pulmonary hemorrhage had 100% mortality. Thus, the outcome as survival is constrained by many factors; newborn's profile, conditions at birth, and postnatal resuscitation.

An integrative system biology approach to unravel potential drug candidates for multiple age related disorders.

Aging, though an inevitable part of life, is becoming a worldwide social and economic problem. Healthy aging is usually marked by low probability of age related disorders. Good therapeutic approaches are still in need to cure age related disorders. Occurrence of more than one ARD in an individual, expresses the need of discovery of such target proteins, which can affect multiple ARDs. Advanced scientific and medical research technologies throughout last three decades have arrived to the point where lots of key molecular determinants affect human disorders can be examined thoroughly. In this study, we designed and executed an approach to prioritize drugs that may target multiple age related disorders. Our methodology, focused on the analysis of biological pathways and protein protein interaction networks that may contribute to the pharmacology of age related disorders, included various steps such as retrieval and analysis of data, protein-protein interaction network analysis, and statistical and comparative analysis of topological coefficients, pathway, and functional enrichment analysis, and identification of drug-target proteins. We assume that the identified molecular determinants may be prioritized for further screening as novel drug targets to cure multiple ARDs. Based on the analysis, an online tool named as 'ARDnet' has been developed to construct and demonstrate ARD interactions at the level of PPI, ARDs and ARDs protein interaction, ARDs pathway interaction and drug-target interaction. The tool is freely made available at http://genomeinformatics.dtu.ac.in/ARDNet/Index.html.