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2022 ◽  
Vol 44 (2) ◽  
pp. 127-132
Author(s):  
Hagar L. Mowafy ◽  
Maha M. Kotb ◽  
Kamal M. Hanna ◽  
Fatema T. Elgengehy ◽  
Lamiaa A. Madkour

2022 ◽  
Vol 103 ◽  
pp. 108451
Author(s):  
Feng Yuan ◽  
Zixiang Cong ◽  
Xiangming Cai ◽  
Junhao Zhu ◽  
Lei Yuan ◽  
...  
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Author(s):  
MANOJ GADEWAR ◽  
BHARAT LAL

Objective: The aim of present investigation is docking of various existing antiviral, anti-tubercular and anti-malarial drugs on 6LU7 receptor of SARS-CoV-2 in the treatment of COVID-19. Methods: In this study, the structure of coronavirus binding protein and ligands for various drugs were collected from the protein data bank and pub chem. Molecular docking was carried out using Schrodinger 9.0 software. In molecular docking study, 19 different drugs of various categories like antiviral, anti-malarial and anti-tubercular were investigated for analyzing binding to 6LU7 receptors of COVID-19. Results: The docking result showed a high affinity of zanamivir, montelukast, ramdesvir, ritonavir, cobicistat and favipravir to the 6LU7 receptor of novel coronavirus. Thus the combination of these drugs may be useful in preventing further infection and can be used as a potential target for further in vitro and in vivo studies of SARS-CoV-2. Conclusion: Treatment of COVID-19 has been challenge due to the non-availability of effective drug therapy. In this study, we reported drugs for targeting 6LU7 Mpro/3Clpro protein, which showed prominent effects as potential inhibitors of COVID-19 Mpro.


Author(s):  
Manisha Yadav ◽  
J. Satya Eswari

Background: Lipopeptides are potential microbial metabolites that are abandoned with broad spectrum biopharmaceutical properties ranging from antimicrobial, antiviral and anticancer, etc. Clinical studies are not much explored beyond the experimental methods to understand drug mechanisms on target proteins at the molecular level for large molecules. Due to the less available studies on potential target proteins of lipopeptide based drugs, their potential inhibitory role for more obvious treatment on disease have not been explored in the direction of lead optimization. However, Computational approaches need to be utilized to explore drug discovery aspects on lipopeptide based drugs, which are time saving and cost-effective techniques. Methods: Here a ligand-based drug discovery approach is coupled with reverse pharmacophore-mapping for the prediction of potential targets for antiviral (SARS-nCoV-2) and anticancer lipopeptides. Web-based servers PharmMapper and Swiss Target Prediction are used for the identification of target proteins for lipopeptides surfactin and iturin produced by Bacillus subtilis. Results: The studies have given the insight to treat the diseases with next-generation large molecule therapeutics. Results also indicate the affinity for Angiotensin-Converting Enzymes (ACE) and proteases as the potential viral targets for these categories of peptide therapeutics. A target protein for the Human Papilloma Virus (HPV) has also been mapped. Conclusion: The work will further help in exploring computer-aided drug designing of novel compounds with greater efficiency where the structure of the target proteins and lead compounds are known.  


2022 ◽  
Vol 14 (1) ◽  
pp. 1-26
Author(s):  
Louay Karadsheh ◽  
Haroun Alryalat ◽  
Ja'far Alqatawna ◽  
Samer Fawaz Alhawari ◽  
Mufleh Amin AL Jarrah

The objective of this paper is to examine a model to identify Social Engineer Attack Phases to improve the security countermeasures by Social-Engineer Involvement. A questionnaire was developed and distributed to a sample of 243 respondents who were actively engaged in 3 Jordanian telecommunication companies. All hypotheses were tested using (PLS-SEM). The results of the study indicate that Social Engineer Attack Phases (Identification the potential target, Target Recognition, Decision approach, and Execution) have a partially mediate and significant impact on improving the security countermeasures by Social-Engineer Involvement. On the other hand, the Social Engineer Attack Phases (Information Aggregations, Analysis and Interpretation, Armament, and Influencing) have a fully mediate and significant impact on improving the security countermeasures by Social-Engineer Involvement. The findings of this study help to provide deep insight to help security professionals prepare better and implement the right and appropriate countermeasures, whether technical or soft measures.


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