ABSTRACT
SARS-CoV-2 has endangered the health of notable population of the world and hence, it attracted the attention of many researchers. In this study, we introduce two potential antiviral compounds for the treatment COVID-19 and compare it with the current reference drug. Molecular dynamics simulation and quantum theory of atoms in molecules (QTAIM) were used to study the host-guest interaction and dynamics between the nCov protein and inhibitors. Results obtained after a triplicate run of 100 ns for each compound revealed that compound B2 showed better inhibitory potential with MM-GBSA binding energy of -40.05 kcal mol-1, compared to the referenced drug. It is worth noting that B1 had a comparable binding potential with B2, suggesting some similarity in their inhibitory features. The QTAIM results showed that Laplacian ∇2ρ(r) and ellipticity (ε) were positive, indicating a stable protein-ligand interaction. The order of stability was in agreement with the MM-GBSA energy trends. The results showed that B1 and B2 can be used as a hopeful therapeutic for the cure of Covid-19. Though, a crucial trial should be done to authenticate this conclusion © 2023, Physical Chemistry Research. All Rights Reserved.
ABSTRACT
Purpose: The purpose of this paper is to provide a conceptual discussion and analysis of the Covid-19 impact on financial crime and regulatory compliance. The analysis is conducted to make a comparison of the financial crime and regulatory compliance patterns before and after the Covid-19 pandemic occurred. Design/methodology/approach: This paper contextualises the impact of Covid-19 on financial crime and regulatory compliance. Moreover, this paper explores different ways of conceptualising the Covid-19 impacts in terms of financial crimes and regulatory compliance patterns based on the surveys by PricewaterhouseCoopers and Deloitte. Findings: The Covid-19 pandemic has brought both challenges and opportunities to financial crime and regulatory compliance. In the aspects of financial crime patterns, this study found a reduction in physical crime whilst on the other hand increment in cybercrime. Nevertheless, this study discovered regulatory compliance not at a satisfactory stage even before the Covid-19 pandemic, let alone during the pandemic. Practical implications: This study implies that the financial institutions must work together to combat the risks of financial crimes, not only amongst the institutions but also with the regulators. Digitalisation and robust risk management need to be improved at a massive level to beat the criminals’ high fintech skills and systems. The initiatives of fund packages from the governments to assist the companies especially the small firms need to be fully used by the companies to improve regulatory compliance. Originality/value: Whilst some studies discussed the impact of Covid-19 on the economy, there are still scarce resources on the comparative analysis on the financial crime and regulatory compliance, not to mention the before and after effect of the Covid-19 pandemic. This is the first paper to integrate the issues surrounding the Covid-19 impact, financial crimes and regulatory compliance in Malaysia. © 2021, Emerald Publishing Limited.