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Dynamical systems analysis of a reaction-diffusion SIRS model with optimal control for the COVID-19 spread

Salman AM, Mohd MH

Comput Methods Biomech Biomed Engin, 2024 Nov 13.
PMID: 39534924 DOI: 10.1080/10255842.2024.2423879

We examine an SIRS reaction-diffusion model with local dispersal and spatial heterogeneity to study COVID-19 dynamics. Using the operator semigroup approach, we establish the existence of disease-free equilibrium (DFE) and endemic equilibrium (EE), and derive the basic reproduction number, R0. Simulations show that without dispersal, reinfection and limited medical resources problems can cause a plateau in cases. Dispersal and spatial heterogeneity intensify localised outbreaks, while integrated control strategies (vaccination and treatment) effectively reduce infection numbers and epidemic duration. The possibility of reinfection demonstrates the need for adaptable health measures. These insights can guide optimised control strategies for enhanced public health preparedness.
ChatGPT revisited: Using ChatGPT-4 for finding references and editing language in medical scientific articles

Alyasiri OM, Salman AM, Akhtom D, Salisu S

J Stomatol Oral Maxillofac Surg, 2024 Mar 21.
PMID: 38521243 DOI: 10.1016/j.jormas.2024.101842

The attainment of academic superiority relies heavily upon the accessibility of scholarly resources and the expression of research findings through faultless language usage. Although modern tools, such as the Publish or Perish software program, are proficient in sourcing academic papers based on specific keywords, they often fall short of extracting comprehensive content, including crucial references. The challenge of linguistic precision remains a prominent issue, particularly for research papers composed by non-native English speakers who may encounter word usage errors. This manuscript serves a twofold purpose: firstly, it reassesses the effectiveness of ChatGPT-4 in the context of retrieving pertinent references tailored to specific research topics. Secondly, it introduces a suite of language editing services that are skilled in rectifying word usage errors, ensuring the refined presentation of research outcomes. The article also provides practical guidelines for formulating precise queries to mitigate the risks of erroneous language usage and the inclusion of spurious references. In the ever-evolving realm of academic discourse, leveraging the potential of advanced AI, such as ChatGPT-4, can significantly enhance the quality and impact of scientific publications.
Multi-step molecular docking and dynamics simulation-based screening of large antiviral specific chemical libraries for identification of Nipah virus glycoprotein inhibitors

Kalbhor MS, Bhowmick S, Alanazi AM, Patil PC, Islam MA

Biophys Chem, 2021 03;270:106537.
PMID: 33450550 DOI: 10.1016/j.bpc.2020.106537

Nipah virus (NiV) infections are highly contagious and can cause severe febrile encephalitis. An outbreak of NiV infection has reported high mortality rates in Southeast Asian countries including Bangladesh, East Timor, Malaysia, Papua New Guinea, Vietnam, Cambodia, Indonesia, Madagascar, Philippines, Thailand and India. Considering the high risk for an epidemic outbreak, the World Health Organization (WHO) declared NiV as an emerging priority pathogen. However, there are no effective therapeutics or any FDA approved drugs available for the treatment of this infection. Among the known nine proteins of NiV, glycoprotein plays an important role in initiating the entry of viruses and attaching to the host cell receptors. Herein, three antiviral databases consisting of 79,892 chemical entities have been computationally screened against NiV glycoprotein (NiV-G). Particularly, multi-step molecular docking followed by extensive molecular binding interactions analyses, binding free energy estimation, in silico pharmacokinetics, synthetic accessibility and toxicity profile evaluations have been carried out for initial identification of potential NiV-G inhibitors. Further, molecular dynamics (MD) simulation has been performed to understand the dynamic properties of NiV-G protein-bound with proposed five inhibitors (G1-G5) and their interactions behavior, and any conformational changes in NiV-G protein during simulations. Moreover, Molecular Mechanics Poisson-Boltzmann Surface Area (MM-PBSA) based binding free energies (∆G) has been calculated from all MD simulation trajectories to understand the energy contribution of each proposed compound in maintaining and stabilizing the complex binding interactions with NiV-G protein. Proposed compounds showed high negative ∆G values ranging from -166.246 to -226.652 kJ/mol indicating a strong affinity towards the NiV-G protein.
Fulltext Enhancing photodynamic therapy efficacy through silica nanoparticle-mediated delivery of temoporfin for targeted in vitro breast cancer treatment

Makhadmeh GN, AlZoubi T, Aljarrah AM, Abu Mhareb MH, Alami JHA, Zyoud SH

Photodiagnosis Photodyn Ther, 2024 Feb 28;46:104034.
PMID: 38423234 DOI: 10.1016/j.pdpdt.2024.104034

Photodynamic therapy (PDT), an approach to cancer treatment, relies fundamentally on two key elements: a light source and a photosensitizing agent. A primary challenge in PDT is the efficient delivery of photosensitizers to the target tissue, hindered by the body's reticuloendothelial system (RES). Silica nanoparticles (SiNPs), known for their unique properties, emerge as ideal carriers in this context. In this study, SiNPs are utilized to encapsulate Temoporfin, a photosensitizer, aiming to enhance its delivery and reduce toxicity, particularly for treating MCF-7 cancer cells in vitro. The synthesized SiNPs were meticulously characterized by their size and shape using Transmission Electron Microscopy (TEM). The study also involved evaluating the cytotoxicity of both encapsulated and naked Temoporfin across various concentrations. The objective was to determine the ideal concentration and exposure duration using red laser light (intensity approximately 110 mW/cm2) to effectively eradicate MCF-7 cells. The findings revealed that Temoporfin, when encapsulated in SiNPs, demonstrated significantly greater effectiveness compared to its naked form, with notable improvements in concentration efficiency (50 %) and exposure time efficiency (76.6 %). This research not only confirms the superior effectiveness of encapsulated Temoporfin in eliminating cancer cells but also highlights the potential of SiNPs as an efficient drug delivery system in photodynamic therapy. This sets the groundwork for more advanced strategies in cancer treatment.
Fulltext Scenario analysis of COVID-19 transmission dynamics in Malaysia with the possibility of reinfection and limited medical resources scenarios

Salman AM, Ahmed I, Mohd MH, Jamiluddin MS, Dheyab MA

Comput Biol Med, 2021 Jun;133:104372.
PMID: 33864970 DOI: 10.1016/j.compbiomed.2021.104372

COVID-19 is a major health threat across the globe, which causes severe acute respiratory syndrome (SARS), and it is highly contagious with significant mortality. In this study, we conduct a scenario analysis for COVID-19 in Malaysia using a simple universality class of the SIR system and extensions thereof (i.e., the inclusion of temporary immunity through the reinfection problems and limited medical resources scenarios leads to the SIRS-type model). This system has been employed in order to provide further insights on the long-term outcomes of COVID-19 pandemic. As a case study, the COVID-19 transmission dynamics are investigated using daily confirmed cases in Malaysia, where some of the epidemiological parameters of this system are estimated based on the fitting of the model to real COVID-19 data released by the Ministry of Health Malaysia (MOH). We observe that this model is able to mimic the trend of infection trajectories of COVID-19 pandemic in Malaysia and it is possible for transmission dynamics to be influenced by the reinfection force and limited medical resources problems. A rebound effect in transmission could occur after several years and this situation depends on the intensity of reinfection force. Our analysis also depicts the existence of a critical value in reinfection threshold beyond which the infection dynamics persist and the COVID-19 outbreaks are rather hard to eradicate. Therefore, understanding the interplay between distinct epidemiological factors using mathematical modelling approaches could help to support authorities in making informed decisions so as to control the spread of this pandemic effectively.
Fulltext Phytochemical characterization and anti-arthritic potential of Croton bonplandianus leaves extract: In-vivo and in-silico approach

Javed E, Khan HM, Shahzad Q, Shahzad Y, Yasin H, Ul-Haq Z, et al.

Saudi Pharm J, 2023 Dec;31(12):101860.
PMID: 38192284 DOI: 10.1016/j.jsps.2023.101860

Croton bonplandianus, a natural source traditionally used for treating various illnesses, including rheumatoid arthritis, was evaluated in this study. The effects of ethanolic extracts (CBEE) and aqueous fractions (CBAF) of C. bonplandianus leaves on arthritis-induced inflammation were studied using an albino rat model of inflammation induced by Freund's complete adjuvant. Eight test groups (n = 5 per group) and one vehicle control were used to evaluate the antiarthritic effects of different doses of CBEE and CBAF (125 mg.kg-1, 250 mg.kg-1, and 500 mg.kg-1) on days 5, 10, 15, and 20 compared to arthritic and vehicle controls. Arthritis severity was assessed using macroscopic arthritis grading, histological analysis, body weights, and paw thickness. CBEE and CBAF were found to reduce the prevalence of arthritis, increase body weight, and decrease paw inflammation compared to the vehicle control group by the 23rd day. In addition, they showed no effect on biochemical parameters, but a significant difference (p
Fulltext Stigma, Social Support, Illicit Drug Use, and Other Predictors of Anxiety and Depression Among HIV/AIDS Patients in Pakistan: A Cross-Sectional Study

Ahmed A, Saqlain M, Umair MM, Hashmi FK, Saeed H, Amer M, et al.

Front Public Health, 2021;9:745545.
PMID: 34660521 DOI: 10.3389/fpubh.2021.745545

Introduction: Anxiety and depression in people living with HIV/AIDS (PLWHA) can lead to non-adherence to antiretroviral therapy (ART), morbidity, and mortality. Therefore, assessing the stigma, social support, and other determinants of anxiety and depression in PLWHA are important for developing further interventions. Methods: An institution-based cross-sectional study was conducted in 505 PLWHA, approached through systematic sampling, who paid routine visits to the ART center, Pakistan Institute of Medical Sciences (PIMS), Islamabad. Data was collected by pretested validated hospital anxiety and depression scale (HADS). Version 26 of the SPSS was used to apply Logistic regression analysis to identify determinants, and the 95% confidence interval (CI) adjusted odds ratio (AOR) was calculated to assess the magnitude of the relationships. Results: In PLWHA, the prevalence of co-morbid depression and anxiety was 80%. Separately, 89.9% had depression, and 80.3% had anxiety. Use of illicit drugs [AOR = 1.87, 95% CI (1.01, 3.27)], low social support [AOR = 1.21, 95% CI (1.02, 2.25)], being male [AOR = 2.21, 95% CI (1.11, 5.49)], and HIV related stigma [AOR = 2.48, 95% CI (1.25, 6.02)] were significant predictors of depression. Having detectable viral load [AOR = 3.04, 95% CI (1.04, 8.86)], young age [AOR = 5.31, 95% CI (1.19, 29.39)], no formal education [AOR = 21.78, 95% CI (4.03, 117.62)], low [AOR = 1.70, 95% CI (1.12, 6.93)] or moderate [AOR = 2.20, 95% CI (1.79, 6.09)] social support, illicit drugs addiction [AOR = 1.17, 95% CI (1.03, 2.55)], and HIV stigma [AOR = 54.3, 95% CI (21.20, 139.32)] had a remarkable association with anxiety. Conclusions: Given the high prevalence of anxiety and depression among PLWHA, the Pakistan Ministry of Health should focus more on monitoring mental health, expanding mental health services, and developing interventions based on identified factors to treat depression and anxiety among PLWHA.
Fulltext Disease Progression of WHIM Syndrome in an International Cohort of 66 Pediatric and Adult Patients

Geier CB, Ellison M, Cruz R, Pawar S, Leiss-Piller A, Zmajkovicova K, et al.

J Clin Immunol, 2022 Nov;42(8):1748-1765.
PMID: 35947323 DOI: 10.1007/s10875-022-01312-7

Warts, hypogammaglobulinemia, infections, and myelokathexis (WHIM) syndrome (WS) is a combined immunodeficiency caused by gain-of-function mutations in the C-X-C chemokine receptor type 4 (CXCR4) gene. We characterize a unique international cohort of 66 patients, including 57 (86%) cases previously unreported, with variable clinical phenotypes. Of 17 distinct CXCR4 genetic variants within our cohort, 11 were novel pathogenic variants affecting 15 individuals (23%). All variants affect the same CXCR4 region and impair CXCR4 internalization resulting in hyperactive signaling. The median age of diagnosis in our cohort (5.5 years) indicates WHIM syndrome can commonly present in childhood, although some patients are not diagnosed until adulthood. The prevalence and mean age of recognition and/or onset of clinical manifestations within our cohort were infections 88%/1.6 years, neutropenia 98%/3.8 years, lymphopenia 88%/5.0 years, and warts 40%/12.1 years. However, we report greater prevalence and variety of autoimmune complications of WHIM syndrome (21.2%) than reported previously. Patients with versus without family history of WHIM syndrome were diagnosed earlier (22%, average age 1.3 years versus 78%, average age 5 years, respectively). Patients with a family history of WHIM syndrome also received earlier treatment, experienced less hospitalization, and had less end-organ damage. This observation reinforces previous reports that early treatment for WHIM syndrome improves outcomes. Only one patient died; death was attributed to complications of hematopoietic stem cell transplantation. The variable expressivity of WHIM syndrome in pediatric patients delays their diagnosis and therapy. Early-onset bacterial infections with severe neutropenia and/or lymphopenia should prompt genetic testing for WHIM syndrome, even in the absence of warts.
Fulltext A Global Survey of Reproductive Specialists to Determine the Clinical Utility of Oxidative Stress Testing and Antioxidant Use in Male Infertility

Agarwal A, Finelli R, Selvam MKP, Leisegang K, Majzoub A, Tadros N, et al.

World J Mens Health, 2021 Jul;39(3):470-488.
PMID: 33831977 DOI: 10.5534/wjmh.210025

PURPOSE: The use of antioxidants is common practice in the management of infertile patients. However, there are no established guidelines by professional societies on antioxidant use for male infertility.
MATERIALS AND METHODS: Using an online survey, this study aimed to evaluate the practice pattern of reproductive specialists to determine the clinical utility of oxidative stress (OS) testing and antioxidant prescriptions to treat male infertility.
RESULTS: Responses from 1,327 participants representing 6 continents, showed the largest participant representation being from Asia (46.8%). The majority of participants were attending physicians (59.6%), with 61.3% having more than 10 years of experience in the field of male infertility. Approximately two-thirds of clinicians (65.7%) participated in this survey did not order any diagnostic tests for OS. Sperm DNA fragmentation was the most common infertility test beyond a semen analysis that was prescribed to study oxidative stress-related dysfunctions (53.4%). OS was mainly tested in the presence of lifestyle risk factors (24.6%) or sperm abnormalities (16.3%). Interestingly, antioxidants were prescribed by 85.6% of clinicians, for a duration of 3 (43.7%) or 3-6 months (38.6%). A large variety of antioxidants and dietary supplements were prescribed, and scientific evidence were mostly considered to be modest to support their clinical use. Results were not influenced by the physician's age, geographic origin, experience or training in male infertility.
CONCLUSIONS: This study is the largest online survey performed to date on this topic and demonstrates 1) a worldwide understanding of the importance of this therapeutic option, and 2) a widely prevalent use of antioxidants to treat male infertility. Finally, the necessity of evidence-based clinical practice guidelines from professional societies is highlighted.
Fulltext Global Impact of COVID-19 on Stroke Care and IV Thrombolysis

Nogueira RG, Qureshi MM, Abdalkader M, Martins SO, Yamagami H, Qiu Z, et al.

Neurology, 2021 Jun 08;96(23):e2824-e2838.
PMID: 33766997 DOI: 10.1212/WNL.0000000000011885

OBJECTIVE: To measure the global impact of COVID-19 pandemic on volumes of IV thrombolysis (IVT), IVT transfers, and stroke hospitalizations over 4 months at the height of the pandemic (March 1 to June 30, 2020) compared with 2 control 4-month periods.
METHODS: We conducted a cross-sectional, observational, retrospective study across 6 continents, 70 countries, and 457 stroke centers. Diagnoses were identified by their ICD-10 codes or classifications in stroke databases.
RESULTS: There were 91,373 stroke admissions in the 4 months immediately before compared to 80,894 admissions during the pandemic months, representing an 11.5% (95% confidence interval [CI] -11.7 to -11.3, p < 0.0001) decline. There were 13,334 IVT therapies in the 4 months preceding compared to 11,570 procedures during the pandemic, representing a 13.2% (95% CI -13.8 to -12.7, p < 0.0001) drop. Interfacility IVT transfers decreased from 1,337 to 1,178, or an 11.9% decrease (95% CI -13.7 to -10.3, p = 0.001). Recovery of stroke hospitalization volume (9.5%, 95% CI 9.2-9.8, p < 0.0001) was noted over the 2 later (May, June) vs the 2 earlier (March, April) pandemic months. There was a 1.48% stroke rate across 119,967 COVID-19 hospitalizations. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection was noted in 3.3% (1,722/52,026) of all stroke admissions.
CONCLUSIONS: The COVID-19 pandemic was associated with a global decline in the volume of stroke hospitalizations, IVT, and interfacility IVT transfers. Primary stroke centers and centers with higher COVID-19 inpatient volumes experienced steeper declines. Recovery of stroke hospitalization was noted in the later pandemic months.

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