At present, the world is facing a pandemic named as COVID-19, caused by SARS-CoV-2. Traditional Chinese medicine has recommended use of liquorice (Glycyrrhiza species) in treatment infections Therefore, present investigation was carried out to identify active molecule from against different protein targets COVID-19 using an

Chromium (Cr), Lead (Pb) and Cadmium (Cd) have been conceded as one of the most perilous heavy metals which causes a prominent affliction on both environment human health. In this study, chemical modification biodegradable, eco-friendly materials such cellulose chitosan were carried out to prepare composite adsorbent established an optimized condition for adsorption metal ions Cr, Pb Cd from contaminated aqueous wastes. α-cellulose was treated with HCl H2SO4 better properties. On contrary,...

Recent outbreak of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has led to a pandemic COVID-19. The absence therapeutic drug and vaccine is causing loss life economy worldwide. SARS-CoV SARS-CoV-2 employ the host cellular serine protease TMPRSS2 for spike (S) protein priming viral entry into cells. A potential way reduce initial site infection may be inhibit activity TMPRSS2. In current study, three-dimensional structure was generated by homology modelling subsequently...

Metal oxide photocatalyst is one of the promising photocatalysts in water remediation process. The present work aimed at synthesizing green production TiO 2 (G‐TiO ) nanoparticles from mulberry plant extract. Plant phytochemicals serve a different role to produce nanophase particles. bioreductant safer and noxious free compound for G‐TiO nanoparticles. synthesized anatase phase their crystallite size 24 nm were characterized X‐ray diffraction analysis. Ti‐O bonding derivatives reduction...

The intensified quest for efficient materials drives us to study the alkali (Na)-based niobate (NaNbO3) and tantalate (NaTaO3) perovskites while exploiting first-principles approach based on density functional theory, coded within WIEN2K. While using Birch Murnaghan fit, we find these be stable structurally. Similarly, ab-initio molecular dynamics simulations (AIMD) at room temperature reveals that compounds exhibit no structural distortion are temperature. By recommended modified...

Activated carbon doping TiO2 nanoparticles were synthesised by zapota leaf extract using the co-precipitation method. The bio-constituents of plant compounds used in reactions stabilization and reductions. loading on was characterised XRD, FTIR, UV-DRS, SEM with EDX, TEM analysis. activated onto decreased crystallite size optical bandgap, their improved surface structure AC/TiO2 nanoparticles. Mesoporous/microporous instability remodified from carbon, which visualised analysis, respectively....

Novel Coronavirus disease (COVID-19), after being identified in late December 2019 Wuhan city of China, spread very fast and has affected all the countries world. The impact lockdowns on particulate matter during lockdown period needs attention to explore correlation between anthropogenic natural emissions. current study demonstrated changes fine PM 2.5 , 10 their effect air quality lockdown. before was low New Delhi (India) Riyadh (Saudi Arabia), among major cities worldwide. India is...

The rapidly increasing rate of antibiotic resistance is great concern. Approximately two million deaths result annually from bacterial infections worldwide. Therefore, there a paramount requirement to develop innovative and novel antibacterial agents with new mechanisms action activity against resistant strains. For this purpose, set benzothiazole N-phenylpyrrolamides derivatives reported as DNA Gyrase B (GyrB) inhibitors were collected the literature docked inside receptor cavity (PDB ID:...

The recent outbreak of the 2019 novel coronavirus disease (COVID-19) has been proved as a global threat. No particular drug or vaccine not yet discovered which may act specifically against severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) and causes COVID-19. For this highly infectious virus, 3CL-like main protease (3CLpro) plays key role in virus life cycle can be considered pivotal target. Structure-based virtual screening DrugBank database resulted 20 hits 3CLpro. Atomistic 100...

Iron oxide nanoparticles are produced using simple auto combustion methods with honey as a metal-stabilizing and -reducing agent. Herein, α-Fe2O3 an iron nitrate precursor. These prepared samples analyzed by X-ray diffractometer (XRD), FTIR spectroscopy, UV-DRS, field-emission scanning electron microscope (FESEM) combined energy-dispersive spectroscopy vibrating sample magnetometer (VSM). The XRD results confirm rhombohedral structure R3c¯ space group single-phase formation of in all...

Worldwide coronavirus disease 2019 (COVID-19) outbreak is still threatening global health since its first reported in the late 2019. The causative novel virus has been designated as severe acute respiratory syndrome 2 (SARS-CoV-2). Although COVID-19 emergent with significant mortality, there no availability of definite treatment measures. It now extremely desirable to identify potential chemical entities against SARS-CoV-2 for COVID-19. In present study, a state-of-art virtual screening...

Two ZnII-based metal organic frameworks (MOFs) [Zn2(L)2(1,2-bis(4-pyridyl)ethane)4]n [(ZnMOF1)] and [Zn2(L)2(1,2-bis(4-pyridyl)ethene)4]n [(ZnMOF2)] have been synthesized crystallographically characterized. Due to the presence of Lewis acidic center Zn basic functional groups (−N═N) in both complex [(ZnMOF2)], it is possible efficiently fix carbon dioxide into epoxides produce biosource cyclic carbonates. Under solvent-free mild reaction conditions (60 °C temperature 1 bar CO2 pressure),...

Visible light-driven photocatalyst BiFeO3 (BFO) nanoparticles were synthesised by the auto-combustion method. The honey was used to fuel auto combustion method synthesise BFO nanoparticles. structural, optical and morphological activities of bismuth loaded characterised X-ray diffraction (XRD), FTIR, UV, photoluminescence (PL) SEM analysis, respectively. content modifies lattice parameters XRD reduces bandgap energy. observed crystallite size varies from 19 27 nm region is 2.07 2.21 eV....

Reinforcing fibers, nanofillers, matrix materials, and manufacturing techniques all have a role in the mechanical characteristics of hybrid composites. MWCNTs-reinforced E-glass/Kevlar/epoxy composites are appropriate fillers for structural applications. The impact different concentrations MWCNT (0.4%, 0.8%, 1.2% wt) on has been studied. Tensile bending strength, as well hardness, were measured compression-molded effects compression pressure, mold temperature, applied pressure (0.8% MWCNT)...

Abstract Dengue infection is the most common arthropod‐borne disease caused by dengue viruses, predominantly affecting millions of human beings annually. To find out promising chemical entities for therapeutic application in Dengue, current research, a multi‐step virtual screening effort was conceived to screen entire “screening library” Asinex database. Initially, through “Lipinski rule five” filtration criterion almost 0.6 million compounds were collected and docked with NS3‐NS2B protein....

Water is an essential part of life, however, with continued modernization, it has become a dumping place for many pollutants including dyes. The polluted water can severely affect human health. Polluted enter into the body through different channels, food web. Thus, very important beings and animals to have access pollution free water. To get knowledge pollutants, in this case, dye, we need sensitive analytical procedure which could tell amount dye also steps pollutant removed from In work,...

Ebola virus (EBOV) is a lethal human pathogen with risk of global spread its zoonotic infections, and Ebolavirus Zaire specifically has the highest fatality rate amongst other species. There need for continuous effort towards having therapies, as single licensed treatment to neutralize EBOV yet come into reality. This present study virtually screened MCULE database containing almost 36 million compounds against structure viral protein (VP) 35 consensus scoring both CLCDDW docking programs...