SARS-CoV-2 is a new generation of coronavirus, which was firstly determined in Wuhan, China, in December 2019. So far, however, there no effective treatment has been found to stop this new generation of coronavirus but discovering of the crystal structure of SARS-CoV-2 main protease (SARS-CoV-2 M pro) may facilitate searching for new therapies for SARS-COV-2 . The aim was to assess the effectiveness of available FDA approved drugs which can construct a covalent bond with Cys145 inside binding site SARS-CoV-2 main protease by using covalent docking screening. Method: We conducted the covdock module MMGBSA module in the Schrodinger suite 2020-1, to examine the covalent bonding utilizing. Besides, we submitted the top three drugs to molecular dynamics simulations via Gromacs 2018.1. Results: The covalent docking showed that saquinavir, ritonavir, remdesivir, delavirdine, cefuroxime axetil, oseltamivir and prevacid have the highest binding energies MMGBSA of -72.17, -72.02, -65.19, -57.65, -54.25, -51.8, -51.14 kCal/mol, respectively. 50 ns molecular dynamics simulation was conducted for saquinavir, ritonavir and remdesivir to evaluate the stability of these drugs inside the binding pocket of SARS-CoV-2 main protease. Conclusion: The current study provides a powerful in silico results, means for rapid screening of drugs as anti-protease medications and recommend that the above-mentioned drugs can be used in the treatment of SARS-CoV-2 in combined or sole therapy.

Syntheses of coumarins, which are a structurally interesting antioxidant activity, was done in this article. The modification of 7-hydroxycoumarin by different reaction steps was done to yield target compounds. Molecular structures were characterized by different spectroscopical techniques (Fourier transformation infrared and nuclear magnetic resonance). Antioxidant activities were performed by using various in vitro spectrophometric assays against 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical and hydrogen peroxide (H₂O₂). All compounds exhibited high efficiency as antioxidants compared to ascorbic acid. The highest efficiency scavenging activity was found for compound 3 (91.0 ± 5.0), followed by compounds 2 and 4 (88.0 ± 2.00; and 87.0 ± 3.00). Ascorbic acid C was used as a standard drug with a percentage inhibition of 91.00 ± 1.5. The mechanism of the synthesized compounds as antioxidants was also studied. Hartree–Fock–based quantum chemical studies have been carried out with the basis set to 3-21G, in order to obtain information about the three-dimensional (3D) geometries, electronic structure, molecular modeling, and electronic levels, namely HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital), to understand the antioxidant activity for the synthesized compounds.

Background:: For thousands of years, natural food products have been a medicine for diseases that affect the human body, including diabetes mellitus. Lately, several investigations have studied the flavonoids derivatives of plant origins and their biological activity. Given our need to know more mechanisms for treating this disease, Methods:: we will do a thorough research review on treating diabetes mellitus based on flavonoids, its therapeutic potential, and biological action. Results:: Flavonoids reduces complications in addition to its vital role as effective supplements for preventing diabetes mellitus by regulating glucose metabolism, lipid profile, liver enzyme activity, a protein kinase inhibitor, PPAR, AMPK with NF-κB Conclusion:: Articles that we reviewed showed the positive role of flavonoids, which at a certain way reduce diabetes, but its side effects are still missing, this review focus on the different type of dietary flavonoids along with their mechanism in reducing blood glucose and enhance insulin sensitivity as well as some side effects

Introduction: Luteolin is highly distributed within plant species it is approved to be efficacious in the treatment of ischemic stroke caused by inflammation. Ischemic stroke (I/R) damage to the brain is a commonly diagnosed natural outcome of ischemic stroke. The objectives of this paper are to use in silico molecular modelling to evaluate the primary biomarker proteins with which luteolin binds, as well as the benefits of luteolin in minimizing the harm caused by cerebellar (I/R) injury. Methodology: The molecular modelling research was performed using AutodockFr. The Bcl-2, Caspase-3, IL-1B, MDA, TLR-2, and TNF- values were observed, alongside the histological assessment which was used to determine the level of restoration from the cerebellar (I/R) injuries sustained in mouse models.Results: Docking studies demonstrated that the luteolin structure can interact with both SOCS3/JAK and SYK Enzymes. Concomitantly, the physiological responses showed marked declines within Bcl-2, Caspase-3, IL-1B, MDA, TLR-2, and TNF- brain chemicals, with huge rises observed with Bcl-2 concentrations. Moreover, the histopathological examination revealed that luteolin decreases ischemic injury.Conclusions: Lutein could be able to decrease cerebral (I/R) damage by decreasing oxidative stress and trying to exert an anti-apoptotic overall impact.