Corona virus disease/COVID-19 is an acute respiratory infection caused by SARS-CoV-2 and has become a pandemic. COVID-19 can be prevented efforts such as physical distancing, washing hands, using masks self-isolation well regional isolation. Moringa plant that used both food medicine. The purpose of this study was to observe the activity leaf compounds in inhibiting Mpro (main protease) SARS-Co...

The anti-obesity potential of various plant extracts and their associated bioactive compounds is well known. Molecular docking studies FTO with flavonoids, using Orlistat (an drug) as a control, were performed to identify the effects Rhamnus’ flavonoids (Obesity obesity protein). Prior molecular simulation, Rhamnus flavanoids analysed AutoDockTools (version 1.5.6). Docking simulations interacti...

The primary objective of this research work was to study the antibacterial effects Cupressus funebris essential oil (EO) against various drug resistant bacterial pathogens along with studying molecular docking interactions major components EO key proteins/enzymes. Gas chromatography-mass spectrometry used analyse chemical composition EO. initial screening performed by using disc diffusion and m...

Since its pandemic in 2019, SARS-CoV-2 has badly affected the countries around globe. There is no FDA approved drug for treatment of disease. In this study, we evaluated potential targets against non-structural protein-1 (Nsp-1), which crucial disturbing host-translational machinery. As completecrystal structure Nsp-1 was not available, used I-TASSER making complete protein. The verified using ...

MOTIVATION Molecular docking is a method for structure-based drug design and structural molecular biology, which attempts to predict the position and orientation of a small molecule (ligand) in relation to a protein (receptor) to produce a stable complex with a minimum binding energy. One of the most widely used software packages for this purpose is AutoDock, which incorporates three metaheuris...

We report the bioavailability analysis for six secondary metabolites with antiviral, antioxidant and antitumor activity reported, from Curatella amaricana L. Additionally, molecular similarity of each metabolite is presented compared Lopinavir, Ritonavir, Darunavir, Cobicistat Nelfinavir, which actually are in third phase production a new vaccine SARS-Cov2. The mode interaction through docking ...

Objective: To develop coenzyme Q10 (co-Q10) nanostructured lipid carriers (NLCs) using stearic acid (SA) and various liquid lipids with different lipophilicity as well highlights the use of in silico studies for predicting elucidating interaction drug-lipid used carries NLCs, at molecular level.
 Methods: The co-Q10 NLCs were prepared SA solid oleic (OA), isopropyl myristate (IPM), palmita...

In this study, we aimed to determine VEGFR-2, EGFR and PDGFR-β tyrosine kinase inhibitory activities of some pyrrolo[2,3-d]pyrimidine derivatives previously synthesized and showed potent cytotoxic and apoptotic effects against several cancer cell lines by our group and to evaluate the relationships between inhibitory activities and binding properties of the active compounds by molecular docking...