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For more than a century, the renin-angiotensin system (RAS) has been acknowledged for playing a crucial part in the physiological control of arterial pressure, as well as sodium and fluid balance. It is now generally acknowledged that one of the receptor of RAS system i.e. angiotensin type 2 receptor (AT2R) functions as a repair system during pathophysiologic circumstances and performs a significant protective role. Efforts have been made previously to design suitable agonist and antagonist molecules to potentially modulate AT2R. One of the agonists and antagonists, named C21 and EMA401, has been studied in a number of pathological conditions. Additionally, a wide panel of single nucleotide polymorphisms (SNPs) has been reported for AT2R, which might potentially affect the efficacy of these molecules. Therefore, computational investigations have been carried out to analyze all the SNPs (1151) reported in NCBI to find potential SNPs affecting the active site of AT2R, as this domain is still unexplored. Structures of these polymorphic forms were modeled, and in silico drug interaction studies with C21 and EMA401 were carried out. The two mutants (rs868939201 and rs1042852794) that significantly affect the binding affinity as that of the wild type were subjected to molecular dynamics simulations. Our analysis of native and mutant AT2R and their complexes with C21 and EMA401 indicated that the occurrence of these mutations affects the conformation of the protein and has affected the binding of these ligand molecules. The study’s findings will aid in the development of better, more versatile medications in the near future, and also in vitro and in vivo studies might be planned in accordance with recent findings. Communicated by Ramaswamy H. Sarma

Cyclin-dependent kinase 9 (CDK9) is a transcription-associated protein involved in controlling the cell cycle and is often deregulated in stress conditions. CDK9 is being studied as a well-known druggable target for developing effective therapeutics against a wide range of cancer, cardiac dysfunction and inflammatory diseases. Owing to the significance of CDK9 in the etiology of hematological and solid malignancies, its structure, biological activity, regulation and its pharmacological inhibition are being explored for therapeutic management of cancer. We employed a structure-based virtual high-throughput screening of bioactive compounds from the IMPPAT database to discover potential bioactive inhibitors of CDK9. The preliminary results were obtained from the Lipinski criteria, ADMET parameters and sorting compounds without any PAINS patterns. Subsequently, binding affinity and selectivity analyses were used to find effective CDK9 hits. This screening resulted in the identification of two natural compounds, Glabrene and Guggulsterone with high affinity and specificity for the CDK9 binding site. Both compounds exhibit drug-like characteristics, as projected by ADMET analysis, physicochemical data and PASS evaluation. Both compounds preferentially bind to the ATP-binding pocket of CDK9 and interact with functionally important residues. Further, the dynamics and consistency of CDK9 interaction with Glabrene and Guggulsteron were evaluated through all-atom molecular dynamic (MD) simulations which suggested the stability of both complexes. The results might be deployed to introduce novel CDK9 inhibitors that may treat life-threatening diseases, including cancer.Communicated by Ramaswamy H. Sarma.

Tyrosine-protein kinase Lyn (LynK) has emerged as one of the most attractive therapeutic targets for cancer and diabetes. In this study, we used a multistep virtual screening process of natural compounds to discover potential inhibitors of LynK from the IMPPAT database. The primary filters were based on Lipinski rules, ADMET properties, and PAINS patterns. Then, binding affinities and interaction analyses were carried out for the high-affinity selectivity of the compounds towards LynK. Eventually, two natural compounds, Glabrene and Lactupicrin, were identified with high affinity and specificity for the LynK-binding pocket. Both compounds exhibited drug-like properties, as predicted by ADMET analysis and physicochemical parameters. The molecular dynamics (MD) simulation study revealed that these compounds bind to the ATP-binding pocket of LynK and interact with functionally significant residues with stability without inducing any significant structural changes to the protein. Ultimately, the identified compounds may be regarded as promising LynK inhibitors and can be used as lead molecules in the drug development against LynK-related diseases.Communicated by Ramaswamy H. Sarma.

Cyclin-dependent kinase 5 (CDK5) is a proline-directed serine-threonine protein kinase vital for neuronal cell cycle arrest and differentiation. It activates by binding with p35 and p39 and is important for the functioning of the nervous system. A growing body of evidence suggests that CDK5 contributes to the onset and progression of neurodegeneration and tumorigenesis and represents itself as a potential therapeutic target. Our research illustrates virtual screening of phytochemicals from the IMPPAT (Indian Medicinal Plants, Phytochemistry and Therapeutics) library to search for potential inhibitors of CDK5. Initially, the compounds from the parent library were filtered out via their physicochemical properties following the Lipinski rule of five. Then sequentially, molecular docking-based virtual screening, PAINS filter, ADMET, PASS analysis, and molecular dynamics (MD) simulation were done using various computational tools to rule out adversities that can cause hindrances in the identification of potential inhibitors of CDK5. Finally, two compounds were selected via the extensive screening showing significant binding with CDK5 ATP-binding pocket and ultimately were selected as potent ATP-competitive inhibitors of CDK5. Finally, we propose that the elucidated compounds Desmodin and Isopongachromene can be used further in the drug discovery process and act as therapeutics in the medical industry to treat certain complex diseases, including cancer and neurodegeneration.Communicated by Ramaswamy H. Sarma.

Ammar Abdulrahman Jairoun,1,2 Sabaa Saleh Al hemyari,1,3 Naseem Mohammed Abdulla,2 Moyad Shahwan,4,5 Farah Hashim Jaber Bilal,6,7 Saleh Karamah AL-Tamimi,8 Maimona Jairoun,4 Samer H Zyoud,9 Amanj Kurdi,10– 13 Brian Godman5,10,13 1School of Pharmaceutical Sciences, Universiti Sains Malaysia, Pulau Pinang, Gelugor, 11800, Malaysia; 2Health and Safety Department, Dubai Municipality, Dubai, United Arab Emirates; 3Pharmacy Department, Emirates Health Services, Dubai, United Arab Emirates; 4College of Pharmacy and Health Sciences, Ajman University, Ajman, 346, United Arab Emirates; 5Centre of Medical and Bio-allied Health Sciences Research, Ajman University, Ajman, United Arab Emirates; 6Anesthesiology Department, Saint Georges Hospital, Beirut, Lebanon; 7Valiant Hospital, Anesthesiology Department, Dubai, United Arab Emirates; 8Faculty of Pharmacy, Aden University, Aden, Yemen; 9Nonlinear Dynamics Research Center (NDRC), Ajman University, Ajman, United Arab Emirates; 10Department of Pharmacoepidemiology, Strathclyde Institute of Pharmacy and Biomedical Science (SIPBS), University of Strathclyde, Glasgow, UK; 11Department of Pharmacology and Toxicology, College of Pharmacy, Hawler Medical University, Erbil, Kurdistan Region Government, Iraq; 12Center of Research and Strategic Studies, Lebanese French University, Erbil, Kurdistan Region Government, Iraq; 13Division of Public Health Pharmacy and Management, School of Pharmacy, Sefako Makgatho Health Sciences University, Pretoria, South AfricaCorrespondence: Ammar Abdulrahman Jairoun, Moyad Shahwan, Tel +971558099957; +97106 705 6249, Email Dr_ammar_91_@hotmail.com; m.shahwan@ajman.ac.aePurpose: Self-testing kits for SARS-CoV-2 appear effective, practical, safe and reliable as well as helping patients with mild-to-moderate symptoms to be successfully managed at home without going to hospital. As a result, ease pressures on hospitals. OTC vending machines offer the potential for SARS-CoV-2 self-testing kits alongside making available OTC treatments to alleviate the symptoms of COVID-19. As a result, providing confidentiality alongside ease of use in case people do not want their status broad casted. Consequently, there was a need to assess the acceptability and willingness regarding the availability of OTC vending machines to dispense self-testing kits for SARS-CoV-2 among UAE residents to provide future direction.Patients and Methods: A cross-sectional survey using a designed questionnaire was based on previous research and expert input and pilot tested. All items in the final questionnaire were seen as acceptable with a satisfactory content validity. A purposive sampling strategy was used in the principal study by primarily sending a link to the questionnaire to UAE universities via Facebook and WhatsApp.Results: A total of 876 respondents participated in the study and completed the whole questionnaire. Most participants were female (63%), Arabic origin (42%) and holding a bachelor’s degree (84.5%). There was high acceptability and willingness to use self-testing kits (87.2%), with 88.6% of respondents believing OTC vending machines would be beneficial for patients with actual or suspected SARS-CoV-2. Gender, nationality, educational level, employment status, having relatives infected with SARS-CoV-2 and being vaccinated were significantly associated with attitudes towards the self-testing kits. Recognised barriers include their potential costs, ease of access and help for those who cannot read the instructions.Conclusion: Overall, there was high acceptability and willingness to use OTC vending machines to deliver self-testing kits for SARS-CoV-2 among the surveyed participants. Key barriers will need to be addressed to enhance their use.Keywords: SARS-CoV-2, self-testing kits, attitudes, public acceptability and willingness, UAE

Moyad Shahwan,1,2 Abdulhaq Suliman,2,3 Ammar Abdulrahman Jairoun,4,9 Sahib Alkhoujah,1 Sabaa Saleh Al-hemyari,5,9 Saleh Karamah AL-Tamimi,6 Brian Godman,2,7– 9 Ramzi A Mothana10 1College of Pharmacy and Health Science, Ajman University, Ajman, United Arab Emirates; 2Centre of Medical and Bio-Allied Health Sciences Research, Ajman University, Ajman, United Arab Emirates; 3College of Dentistry, Ajman University, Ajman, United Arab Emirates; 4Health and Safety Department, Dubai Municipality, Dubai, United Arab Emirates; 5Pharmacy Department, Emirates Health Services, Dubai, United Arab Emirates; 6Faculty of Pharmacy, Aden University, Aden, Yemen; 7Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, Glasgow, G4 0RE, UK; 8Division of Public Health Pharmacy and Management, School of Pharmacy, Sefako Makgatho Health Sciences University, Pretoria, South Africa; 9School of Pharmaceutical Sciences, Universiti Sains Malaysia, Penang, Malaysia; 10Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, Saudi ArabiaCorrespondence: Ammar Abdulrahman JairounHealth and Safety Department, Dubai Municipality, Dubai, 67, United Arab EmiratesTel +971558099957Email Dr_ammar_91_@hotmail.comMoyad ShahwanDepartment of Clinical Sciences, College of Pharmacy and Health Sciences, Ajman University, Ajman, 346, United Arab Emirates - Centre of Medical and Bio-allied Health Sciences Research, Ajman University, Ajman, 346, United Arab Emirates Tel +97167056249Email moyad76@hotmail.comObjective: To evaluate the prevalence, knowledge, attitude and acceptance of the COVID-19 vaccines and related factors among university students in the United Arab Emirates.Methods: Analytical cross-sectional study undertaken among a convenient sample of medical and non-medical colleges of Ajman University using a self-administrated questionnaire. The questionnaire included demographic data as well as assessing knowledge of COVID-19, attitudes and acceptance of COVID-19 vaccines.Results: A total of 467 students participated in the study and completed the questionnaire. A total of 181 (38.8%) participants reported that they have been vaccinated against COVID-19 virus, principally with the Sinopharm vaccine (84%). Vaccination against the COVID-19 virus was less prevalent among Arabic nationalities compared to other nationalities, but more prevalent among students from health science colleges compared to those from non-health science colleges. The acceptance rate of COVID-19 vaccine among study participants was 56.3%, exacerbated by worries regarding unforeseen problems (65.5%, 306), general mistrust (47.3%, 221) and unforeseen impacts (35.1%, 164). The average knowledge score was 60.1%, with 142 (30.4%) having poor knowledge, 127 (27.2%) acceptable knowledge and 198 (42.4%) good knowledge. There were common misconceptions about symptoms including nausea and diarrhoea, as well as the route of transmission, with half believing antibiotics are effective treatment.Conclusion: There was variable knowledge of COVID-19 among students. Misconceptions need addressing going forward. To enhance COVID-19 vaccination uptake in the country and worldwide, health education targeting diverse sociodemographic categories should be prioritized.Keywords: acceptance, knowledge, vaccine, COVID-19, university student, concerns, Ajman University

It is shown that an appropriate combination of methods, relevant to operational calculus and to special functions, can be a very useful tool to establish and treat a new modified 2D-Laguerre polyno...

The history of the National Health Service (NHS) in the UK is replete with digital interventions which have either failed or been abandoned midway. When analyzing these interventions, complexities ...

Donepezil is an acetylcholinesterase inhibitor (AChEI) in use to treat symptomatic patients of mild to moderate Alzheimer's disease (AD). Ferritin is an iron protein associated with storage and sequestration of excess ferrous iron in a way maintaining proper function of cellular processes and plays a key role in AD since steady-state dysregulation of metal ion metabolism

Purpose: To evaluate the impact of the current pandemic on ophthalmology residency training in Saudi Arabia, focusing on its effects on clinical education, training, and the mental well-being of the trainees Methods: An online self-administered questionnaire was distributed among residents in the Saudi ophthalmology training programs between July 7 and 14, 2020 In this study, we explored residents’ opinions regarding training disruption and virtual education The patient health questionnaire (PHQ-9) was used to assess the COVID-19 pandemic’s impact on their mental health We used descriptive statistics for data analysis Results: Out of 183 registered ophthalmology residents, 142 participated in this study Ninety-six participants (35 4%) were rotated at a specialized eye hospital during the COVID-19 pandemic, while 52 (19 2%) had rotations in the ophthalmology department at general hospitals Those who rotated in both types of hospitals were 123 (45 4%) According to the participants, there was a significant decline in exposure to surgical and office-based procedures compared to emergency eye consultations (Friedman P

In this article, we first give some basic properties of generalized Hermite polynomials associated with parabolic cylinder functions. We next use Weisnerś group theoretic method and operational rul...

Background The metabolic syndrome (MetS) is a major public health and clinical challenge worldwide. However, limited data are available in the Gaza strip. This study was undertaken to evaluate the prevalence of MetS and its association with atherosclerotic risk factors and cardiovascular diseases among Gazan adults' community. Methods A cross-sectional study was conducted in 2017, among all adults ≥25 years of age. Participants were selected by stratified cluster sampling method, in five governorates (urban, camps and rural) of Gaza strip. Questionnaires on socioeconomic status, lifestyle and cardiovascular risk factors were completed for 2107 participants. The cardiovascular diseases included clinical history of coronary artery disease (CAD), Lower extremity artery disease (LEAD diagnosed as ankle brachial index < 0.90) and history of stroke. MetS was defined based on the International Diabetes Federation criteria (IDF). Results Among participants, 864 (41%) fulfilled the definition of MetS higher in females than males (50% vs 39%). In both genders, MetS prevalence increased significantly with age (p

Donepezil, a highly selective and reversible inhibitor, is amongst the widely used drugs for the treatment of Alzheimer's disease (AD) across the globe. Clinically significant human transferrin (hTf) is a key player involved in iron metabolism. The current study targets to have an insight into the interaction between donepezil and this plasma protein, hTf using UV-vis absorbance, fluorescence, isothermal titration calorimetry, circular dichroism (CD) and molecular docking techniques. UV spectroscopy of hTf in the presence of donepezil revealed the occurrence of hyperchromism coupled with blue shift in indicating complex formation. Binding constant obtained from UV-vis absorption measurements was of the order 0.9 × 10

Aim: This qualitative study elicited the perspectives of case managers (CM) on case management, with the aim to understand salient aspects of case management from their own perspective.Methods: Thi...