Identification of potential SARS-CoV-2 papain-like protease inhibitors with the ability to interact with the catalytic triad

Severe acute respiratory syndrome corona virus2 (SARS-CoV-2) is responsible for the current pandemic that led to so many deaths across the globe and still has no effective medication. One attractive target is Papain-like protease (PLpro), which plays a critical role in viral replication. Several important structural features dictate access to the PLpro narrow active site, which includes a series of loops surrounding the area. As such, it is difficult for chemical compounds to fit the SARS-CoV-2 PLpro active site. This work employed a computational study to discover inhibitors that could bind to the SARS-COV-2 PLpro active site, mainly by virtual screening, molecular dynamic simulation, MMPBSA and ADMET analysis. Eight potential inhibitors were identified: carbonoperoxoic acid, Chrysophanol-9-anthrone, Adrenolutin, 1-Dehydroprogesterone, Cholest-22-ene-21-ol, Cis-13-Octadecenoic acid, Hydroxycarbonate and 1-(4-(4-Methylphenyl)-5-phenyl-1,3-oxazol-2-yl) isoquinoline, with binding scores of -4.4, -6.7, -5.9, -6.7, -7.0, -4.6, -4.5 and -5.6 kcal/mol, respectively. All these compounds interacted with critical PLpro catalytic residues and showed stable conformation in molecular dynamics simulations with significant binding energies of -12.73 kcal/mol, -10.89 kcal/mol, -7.20 kcal/mol, -16.25 kcal/mol, -19.00 kcal/mol, -5.00 kcal/mol, -13.21 kcal/mol and -12.45 kcal/mol, respectively, as revealed by MMPBSA analysis. ADMET analysis also indicated that they are safe for drug development. In this study, we identified novel compounds that interacted with the key catalytic residues of SARS-CoV-2 PLpro with the potential to be utilized for anti-Covid-19 drug development.

The Effect of Online Learning on Students' Practical Assessment Results During the COVID-19 Lockdown Period

Purpose: Online education was an inevitable approach during the COVID-19 lockdown period. We aimed to determine the effect of online learning on assessment results in courses containing practical learning objectives delivered during the pandemic. Method: A retrospective analysis was performed on the assessment scores in courses conducted during the lockdown and on-campus years. Accumulative and objective structured practical examination scores were used as outcome measures for academic performance. Courses were categorized into pure practical, theory + practical, and pure theory. Results: This study showed that online education increased student scores as evidenced by a higher P-value in theoretical (<0.0001) than pure practical courses (0.033). Discussion.: High scores indicate the effectiveness of the implemented online learning and assessment approach. However, potential confounders, such as exam validity, reliability, and misconduct, require further investigation to ensure an optimum and legitimate learning experience in future unforeseen situations. In addition, learning gaps in complex and technical learning objectives (e.g., prepare, perform, and operate) were identified and integrated in the following academic year © 2023 Association of Medical Education in the Eastern Mediterranean Region (AMEEMR). This is an open access article under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/). Sponsored by King Saud bin Abdulaziz University for Health Sciences

SARS-CoV-2 Variants and qRT-PCR Cycle Threshold Values

Objective: SARS- CoV-2 has developed many variants that are responsible for causing the coronavirus pandemic over the past two years. Sequencing of the variants provides valuable clinical, epidemiological, and public health information. The aim of the study was to sequence positive SARSCoV- 2 cases to examine the variants circulating in Grenada. Method(s): This study was conducted from the outbreaks of SARS-CoV-2 in Grenada during August/September 2021 and December/January 2022. Nasopharyngeal samples were obtained from persons stored on ice, transported to the laboratory and processed within a few hours using qRTPCR, targeting the E gene. Aliquots of samples were stored at -80. and sequencing was performed using the MinIon MK1C sequencing platform. Only samples with a Ct value of = 25 were included in the study. Result(s): A total of 104 samples were sequenced (57 samples the from first wave, 47 from the second wave), variants were detected in 52 of these samples with their lineage. In the first wave, 20 samples (35.08%) were found to be the Delta variant (Ct values 11.3-21.15), whilst in the second wave, 32 samples (68.08%) were found to be of the Omicron variant (Ct values 11.57-24.66). Conclusion(s): Our data demonstrates that the first wave of COVID-19 in Grenada was due to the Delta variant in August/September 2021 and by the Omicron variant in December/February 2022. It also confirms that the 2022 wave of infection in Grenada was due to the omicron variant;the same variant predominates globally.

Design and modeling of IoT IR thermal temperature screening and UV disinfection sterilization system for commercial application using blockchain technology

The increasing spread of the coronavirus across countries and with no sight of vaccine uncovered soon has prompted affected countries to impose strict containment measures. In view to ease the enormous strain on health systems;disinfection, decontamination, contact tracking, and isolation are a few health protocols that are to be observed by companies that resumed their activities to protect their employees from being infected. Hence, against a backdrop of heightened uncertainty, this project leverages on the advancement of technology to design and built a smart Infrared thermal scanning with a camera (Thermovis-Mi-FRAHT-800). An Ultraviolet-C spectrum disinfection system and integration of blockchain technology for data sharing, managing health records, and access control. SketchUp used as a 3D design platform for this project. This system designed with a precautionary measure which includes 3 conditions to be met for the automated barrier to be open which include temperature measurement, disinfection, and sanitization processes. Overall, a person spends less than a minute in the walk-through path chamber as the process takes 20 to 25 seconds each. By this calculation, we assume that 2 people would be able to get disinfected within a minute which comes up to 120 people per hour. Thus, reducing the number of monitoring staffs in direct contact with the stakeholders with potential infection issues. It is envisaged that developing this conceptual design would be the cornerstone in adhering to control measure through appropriate infection control and modification using current and future technologies. © 2020 IEEE