Institution
Shiv Nadar University
Education•Dadri, Uttar Pradesh, India•
About: Shiv Nadar University is a education organization based out in Dadri, Uttar Pradesh, India. It is known for research contribution in the topics: Population & Graphene. The organization has 1015 authors who have published 1924 publications receiving 18420 citations.
Papers published on a yearly basis
Papers
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TL;DR: Sarma et al. as discussed by the authors have found four natural antiviral compounds Amentoflavone, Baicalin, Daidzin and Luteoloside as strong inhibitors of methyltranferase of SARS-CoV-2.
Abstract: The novel Coronavirus disease 2019 (COVID-19) is potentially fatal and caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). Due to the unavailability of any proven treatment or vaccination, the outbreak of COVID-19 is wreaking havoc worldwide. Hence, there is an urgent need for therapeutics targeting SARS-CoV-2. Since, botanicals are an important resource for several efficacious antiviral agents, natural compounds gaining significant attention for COVID-19 treatment. In the present study, methyltranferase (MTase) of the SARS-CoV-2 is targeted using computational approach. The compounds were identified using molecular docking, virtual screening and molecular dynamics simulation studies. The binding mechanism of each compound was analyzed considering the stability and energetic parameter using in silico methods. We have found four natural antiviral compounds Amentoflavone, Baicalin, Daidzin and Luteoloside as strong inhibitors of methyltranferase of SARS-CoV-2. ADMET prediction and target analysis of the selected compounds showed favorable results. MD simulation was performed for four top-scored molecules to analyze the stability, binding mechanism and energy requirements. MD simulation studies indicated energetically favorable complex formation between MTase and the selected antiviral compounds. Furthermore, the structural effects on these substitutions were analyzed using the principles of each trajectories, which validated the interaction studies. Our analysis suggests that there is a very high probability that these compounds may have a good potential to inhibit Methyltransferase (MTase) of SARS-CoV-2 and to be used in the treatment of COVID-19. Further studies on these natural compounds may offer a quick therapeutic choice to treat COVID-19. Communicated by Ramaswamy H. Sarma.
20 citations
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18 Nov 2020
TL;DR: The results pave the way for utilizing the unique combination of tribo-corrosion resistance, excellent mechanical properties, and biocompatibility of MoNbTaTiZr high entropy alloy to develop bioimplants with improved service life and lower risk of implant induced cytotoxicity in the host body.
Abstract: Bioimplants are susceptible to simultaneous wear and corrosion degradation in the aggressive physiological environment. High entropy alloys with equimolar proportion of constituent elements represe...
20 citations
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TL;DR: The study uses MD simulations and QM/MM calculations to address the preparatory half of the catalytic cycle for two cytochrome P450 (CYP450) enzymes, CYP 450CAM and CYP450BM3.
Abstract: The study uses MD simulations and QM/MM calculations to address the preparatory half of the catalytic cycle for two cytochrome P450 (CYP450) enzymes, CYP450CAM and CYP450BM3. We focus on two unexpl...
20 citations
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TL;DR: The network of habitat patches is a scale-free network and at the same time it also displays small-world property characterized by high clustering and low average shortest path length, which means that anemochory floral species studied in this work are likely to thrive across the ecological network of forest patches in the Western Himalaya region over time.
20 citations
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TL;DR: The International Biochar Initiative classifies biochar as a solid material derived from the carbonization of biomass, which can be used for diverse purposes, such as soil stabilization, wastewater treatment, greenhouse gas management and power generation as discussed by the authors.
20 citations
Authors
Showing all 1055 results
Name | H-index | Papers | Citations |
---|---|---|---|
Dinesh Mohan | 79 | 283 | 35775 |
Vijay Kumar Thakur | 74 | 375 | 17719 |
Robert A. Taylor | 62 | 572 | 15877 |
Himanshu Pathak | 56 | 259 | 11203 |
Gurmit Singh | 54 | 270 | 8565 |
Vijay Kumar | 51 | 773 | 10852 |
Dimitris G. Kaskaoutis | 43 | 135 | 5248 |
Ken Haenen | 39 | 288 | 6296 |
Vikas Dudeja | 39 | 143 | 4733 |
P. K. Giri | 38 | 158 | 4528 |
Swadesh M Mahajan | 38 | 255 | 5389 |
Rohini Garg | 37 | 88 | 4388 |
Rajendra Bhatia | 36 | 154 | 9275 |
Rakesh Ganguly | 35 | 240 | 4415 |
Sonal Singhal | 34 | 180 | 4174 |