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 (Mpro) 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 Mpro 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 Mpro protein's function and controlling viral replication.
Green nanotechnology offers several possibilities to bridge the nano and sustainability domains and help us achieve the Sustainable Development Goals (SDGs) and address major global concerns. In this review, we detail the fundamentals and applications of GNT toward SDGs goals. This includes energy production, pollution abatement, water treatment, and eco-friendly agricultural practices. The discussion includes challenges related to legal, ethical and safety aspects as well as limits of the technology. Prospects call for collaborative efforts across various disciplines and policy guidelines in bridging eco-friendly nanotechnology with UN SDGs. We hope that the insights provided in this review can help guide future research and policies toward more environmentally responsible practices, improving global environmental stewardship with a special emphasis on nanotechnology. Graphical Abstract
Silver nanoparticle synthesis of the leaf extract Tagetes erecta L. enriched with ascorbic acid and polyphenols has been investigated. The color of the golden yellow extract has changed to pinkish-brown due to the reduction of Ag+ to the colloidal solution of AgNPs and a sharp absorption peak at 420 nm under the UV-Vis spectrophotometer. In addition, the Fourier Transfer Infrared Spectroscopy (FTIR) estimation was completed in order to recognize and identify the biomolecules present in the extract acting as a reducing and capping agent for the AgNPs. The X-ray diffraction (XRD) peaks at (111), (201), (220), and (311) confirm the presence of monoclinic crystals in the solution. The morphology and size of the particles were provided by transmission electron microscopy (TEM) images of AgNPs. At a scale of 100 nm, synthesized AgNPs were predominantly spherical with a size range of 7-35 nm. In comparison to 7.39 mg/100 g in AgNPs, aqueous leaf extract was 55.14 mg/100 g higher in ascorbic acid. The phenolic and flavonoid content of extract was mg (GAE/100 g) and mg (QE/mL), and the colloidal AgNP solution was mg (GAE/100 g) and mg (QE/mL), respectively. Phenolic and flavonoid contents play a major role as a reducing agent and reduce the precursor AgNO3 into AgNPs. The DPPH scavenging assay also assessed the antioxidant properties of extract and its derived AgNPs. As compared antioxidant value to aqueous leaf extract (mg/mL), higher percentage inhibition (PI) was found in AgNPs and free-radical scavenging activity of extract and AgNPs were directly linked to their concentrations. Results of this research have discovered a higher potential for free-radical scavenging AgNPs and will help to develop new and more potent antioxidants for the treatment of different diseases caused by oxidative stress; the higher antioxidant properties bearing AgNPs might be used.
About Me
Dr. Pankaj Kumar Tyagi is a distinguished academician and researcher in Biotechnology, specializing in Drosophila Genetics and Nanomaterials Synthesis. He is currently a Professor in the Department of Zoology and Dean Life Science of Inndhi University Meerpur Rewari Haryana. Dr. Tyagi completed his Ph.D. in Bioscience, focusing on Drosophila Genetics, from M.D. University, Rohtak, in 2003. He also holds a Master’s degree in Life Sciences and a Bachelor’s degree in Biology from C.C.S. University, Meerut. With over two decades of academic and research experience, he has held significant positions, including Professor at NIET since 2019, and previously as Associate Professor and Assistant Professor at MIET, Meerut, and N.C. College of Engineering, Panipat. His research emphasizes nanomaterials synthesis and their toxicity evaluation using Drosophila as an in vivo model. Dr. Tyagi has secured grants for research projects and training programs from reputed organizations like the Ministry of Science and Technology, Government of India, and the Council of Science & Technology, Uttar Pradesh.
Dr. Tyagi has authored over 107 research papers indexed in SCI/SCIE and Scopus, along with three books and multiple book chapters. He has guided numerous Ph.D., M.Tech., and M.Phil. students to academic success. Recognized for his outstanding contributions, he has received awards such as the UGC Research Award and the University Research Fellowship.
Dr. Pankaj Kumar Tyagi is a distinguished academician and researcher in Biotechnology, specializing in Drosophila Genetics and Nanomaterials Synthesis. He is currently a Professor in the Department of Zoology and Dean Life Science of Inndhi University Meerpur Rewari Haryana. Dr. Tyagi completed his Ph.D. in Bioscience, focusing on Drosophila Genetics, from M.D. University, Rohtak, in 2003. He also holds a Master’s degree in Life Sciences and a Bachelor’s degree in Biology from C.C.S. University, Meerut. With over two decades of academic and research experience, he has held significant positions, including Professor at NIET since 2019, and previously as Associate Professor and Assistant Professor at MIET, Meerut, and N.C. College of Engineering, Panipat. His research emphasizes nanomaterials synthesis and their toxicity evaluation using Drosophila as an in vivo model. Dr. Tyagi has secured grants for research projects and training programs from reputed organizations like the Ministry of Science and Technology, Government of India, and the Council of Science & Technology, Uttar Pradesh.
Dr. Tyagi has authored over 107 research papers indexed in SCI/SCIE and Scopus, along with three books and multiple book chapters. He has guided numerous Ph.D., M.Tech., and M.Phil. students to academic success. Recognized for his outstanding contributions, he has received awards such as the UGC Research Award and the University Research Fellowship.