SARS-COV-2 Spike Glycoprotein as Inhibitory Target for Insilico Screening of Natural Compounds

Coronavirius disease 2019 (Covid-19) pandemic caused by SARS-Cov-2 has raised global health concern without approved drug for management of this lie threatening disease. The aim of this study was to predict the inhibitory potential of quercetin-3-o-rutinoside against SARS-Cov-2 spike glycoprotein. Targeting the SARS-Cov-2 spike protein from angiotensin converting enzyme 2 complex (pdb: 6lzg) is gaining importance. In this study, in silico computational relationship between plant-derived natural drug and spike glycoprotein was predicted. The results were evaluated based on glide (Schrodinger) dock score. Among the five (5) screened compounds, quercetin-3-o-rutinoside has the best docking score (-9.296) with the target. Molecular dynamic (MD) simulation study was performed for 1000ps to confirm the stability behavior of the spike protein and quercetin-3-o-rutinoside complex. The MD simulation study validated the stability of quercetin-3-o-rutinoside in the spike protein binding pocket as potent inhibitor.

A Survey on Artificial Intelligence Overview

Artificial Intelligence (AI) is the branch of computer science concerned with the study and creation of computer of computer system are more intelligence than human. Artificial Intelligence programmed by the human beings. We can increase the AI’s capabilities by the supervised and unsupervised teaching. Artificial Intelligence works with pattern matching method which attempts to describe objects, events or process in terms of their qualitative features, logical and computational relationship. AI can also be used to make predications in future. Artificial Intelligence helps people to make their tasks easily and efficiently. Intelligence is the way of thinking and acting upon the environment, this might depend upon the the programming. There is huge difference on the Natural Intelligence (NI), Machine Intelligence (MI) and Artificial Intelligence. There is wide range of application for that ranges from computer vision to expert system.

Computational Relationship of Deformation Behavior and Materials Strength of Amorphous Alloys to Short-Ranged Local Structures

CuxZr1-x (x=0.30~0.85) binary amorphous alloy models were constructed using molecular dynamics simulations. In order to characterize the short-ranged local structures and the free volume of the whole cell, Voronoi polyhedral analyses were performed for their initial states and also for the deformed states. Both geometrical and physical factors are intimately related to each other and exhibit a large influence on mechanical properties. The elastic properties of shear modulus and bulk modulus tend to increase as the free volume decreases. The Poisson’s ratio, which is related to the glass fragility, increases as the free volume. However, the relation among three elastic properties obtained from the continuous mechanics of the isotropic body does not hold. Also, the maximum stress in the finite deformation drastically decreases with increasing free volume content.