The emergence of the coronavirus disease-2019 pandemic has led to an outbreak in the world. The SARS-CoV-2 is seventh and latest in coronavirus family with unique exonucleases for repairing any mismatches in newly transcribed genetic material. Therefore, drugs with novel additional mechanisms are required to simultaneously target and eliminate the virus. Thus, a newly deciphered N protein is taken as a target that belongs to SARS-CoV-2. They play a vital role in RNA transcription, viral replication and new virion formation. This study used virtual screening, molecular modeling and docking of the 8987 ligands from Asinex and PubChem databases against this novel target protein. Three hotspot sites having DScore !1 (Site 1, Site 2 and Site 3) for ligand binding were selected. Subsequently, high throughput screening, standard precision and extra precision docking process and molecular dynamics concluded three best drugs from two libraries. Two antiviral moieties from Asinex databases (5817 and 6799) have docking scores of À10.29 and À10.156; along with their respective free binding energies (DG bind) of À51.96 and À64.36 on Site 3. The third drug, Zidovudine, is from PubChem database with docking scores of À9.75 with its binding free energies (DG bind) of À59.43 on Site 3. The RMSD and RMSF were calculated for all the three drugs through molecular dynamics simulation studies for 50 ns. Zidovudine shows a very stable interaction with fluctuation starting at 2.4 Å on 2 ns and remained stable at 3 Å from 13 to 50 ns. Thus, paving the way for further biological validation as a potential treatment.
The processing of hollow glass microsphere (HGM) based composites is one of the growing areas in materials research due to the potential of significantly changing material properties even at low HGM concentrations. HGM-epoxy composites are prepared by sonication method. Four weight ratio configurations are considered (1, 3, 5 wt% HGM and 5 wt% NH 2 functionalized HGM) and compared with neat epoxy to study the microenrichment effect. The influence of low volume HGM and functionalized HGM reinforcement on epoxy in the compressive and thermo-mechanical behavior of the composites were characterized by thermo-gravimetric analysis, dynamic mechanical analysis, and compression testing. The compressive strength of HP 5% sample decreased in 101%, as compared with that of EP sample, whereas, storage modulus of HP 5% and f-HP 5% sample is increased by 27.7 and 32.5%, as compared with the EP sample, but did not significantly affected the thermal stability of the obtained composites. Scanning electron microscope images of the fractured samples had shown a good dispersion and interaction of the HGM in the matrix. By introducing HGM content, there was a remarkable difference in the surface morphology of the fractured surface of epoxy. POLYM. COMPOS., 40:3493-3499, 2019.
A total of 50 Candida isolates were isolated and identified from clinical specimens and these were tested for resistance to various
antifungal drugs. It was observed multi-drug resistance in all candida isolates by 84%, 62%, 60%, 76%, 46, 30%, and 22% against
fluconazole, clotrimazole, Amphotericin B, itraconazole, ketoconazole, miconazole and nystatin tested respectively. The isolates, which
were found to be resistant to antifungal drugs were selected and subjected to antifungal testing against six ethanolic plants, extract
namely Azadiracta indica, Allium sativum, Cordia dichotoma Ocimum sanctum, Syzygium cumini and Trigonella foenum grecum. All the plant
extracts tested were found to effective against all MDR Candida isolates with inhibition zone ranging from 10- 18mm in diameter.
Ethanolic extract of Allium sativum was observed most effective against the isolates among all the plants extracts tested. The minimum
inhibitory concentration (MIC) of all ethanolic plant extract was recorded ranging from 1.56-25mg/ml against MDR candida isolates.
Phytochemical analysis of the alcoholic plant extracts revealed the presence of alkaloid, flavanoid, glycosoid, phenol; phenol, tannins,
saponins in all the plants studied. The present study may be successful in identifying the plants with different antimicrobial activity.
These plants containing various phytochemicals may be exploited in the treatment of infectious diseases caused by drug-resistant
microorganisms.
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