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1.
Mol Biol Rep ; 51(1): 303, 2024 Feb 15.
Article in English | MEDLINE | ID: mdl-38356030

ABSTRACT

BACKGROUND: This study aimed to assess silymarin's anticancer and antifibrotic potential through in silico analysis and investigate its impact on in vitro arecoline-induced fibrosis in primary human buccal fibroblasts (HBF). METHODS & RESULTS: The study utilized iGEMDOCK for molecular docking, evaluating nine bioflavonoids, and identified silymarin and baicalein as the top two compounds with the highest target affinity, followed by subsequent validation through a 100ns Molecular Dynamic Simulation demonstrating silymarin's stable behavior with Transforming Growth Factor Beta. HBF cell lines were developed from tissue samples obtained from patients undergoing third molar extraction. Arecoline, a known etiological factor in oral submucous fibrosis (OSMF), was employed to induce fibrogenesis in these HBFs. The inhibitory concentration (IC50) of arecoline was determined using the MTT assay, revealing dose-dependent cytotoxicity of HBFs to arecoline, with notable cytotoxicity observed at concentrations exceeding 50µM. Subsequently, the cytotoxicity of silymarin was assessed at 24 and 72 h, spanning concentrations from 5µM to 200µM, and an IC50 value of 143µM was determined. Real-time polymerase chain reaction (qPCR) was used to analyze the significant downregulation of key markers including collagen, epithelial-mesenchymal transition (EMT), stem cell, hypoxia, angiogenesis and stress markers in silymarin-treated arecoline-induced primary buccal fibroblast cells. CONCLUSION: Silymarin effectively inhibited fibroblast proliferation and downregulated genes associated with cancer progression and EMT pathway, both of which are implicated in malignant transformation. To our knowledge, this study represents the first exploration of silymarin's potential as a novel therapeutic agent in an in vitro model of OSMF.


Subject(s)
Arecoline , Oral Submucous Fibrosis , Humans , Arecoline/adverse effects , Arecoline/metabolism , Mouth Mucosa/metabolism , Molecular Docking Simulation , Oral Submucous Fibrosis/chemically induced , Oral Submucous Fibrosis/drug therapy , Oral Submucous Fibrosis/metabolism , Fibroblasts/metabolism , Fibrosis
2.
Health Serv Res ; 59(1): e14168, 2024 Feb.
Article in English | MEDLINE | ID: mdl-37161614

ABSTRACT

OBJECTIVE: To determine the distinct influences of rural background and rural residency training on rural practice choice among family physicians. DATA SOURCES AND STUDY SETTING: We used a subset of The RTT Collaborative rural residency list and longitudinal data on family physicians from the American Board of Family Medicine National Graduate Survey (NGS; three cohorts, 2016-2018) and American Medical College Application Service (AMCAS). STUDY DESIGN: We conducted a logistic regression, computing predictive marginals to assess associations of background and residency location with physician practice location 3 years post-residency. DATA COLLECTION/EXTRACTION METHODS: We merged NGS data with residency type-rural or urban-and practice location with AMCAS data on rural background. PRINCIPAL FINDINGS: Family physicians from a rural background were more likely to choose rural practice (39.2%, 95% CI = 35.8, 42.5) than those from an urban background (13.8%, 95% CI = 12.5, 15.0); 50.9% (95% CI = 43.0, 58.8) of trainees in rural residencies chose rural practice, compared with 18.0% (95% CI = 16.8, 19.2) of urban trainees. CONCLUSIONS: Increasing rural programs for training residents from both rural and urban backgrounds, as well as recruiting more rural students to medical education, could increase the number of rural family physicians.


Subject(s)
Internship and Residency , Rural Health Services , Humans , United States , Physicians, Family , Professional Practice Location , Workforce
3.
Bioinformation ; 19(3): 331-335, 2023.
Article in English | MEDLINE | ID: mdl-37808366

ABSTRACT

Obesity is a global crisis leading to several metabolic disorders. Modernization and technology innovation has been easier for next generation sequencing using open-source online software galaxy, which allows the users to share their data and workflow mapping in an effortless manner. This study is to identify candidate genes for obesity by performing differential expression of genes. RNA-Seq analysis was performed for six different datasets retrieved from GEO database. 258 datasets from obese patients and 55 datasets from lean patients were analysed for differentially expressed genes (DEGs). DEGs analysis showed 1971 upregulated genes and 615 downregulated genes with log2FC count ≥ 2.5 and p-value < 0.05. The Gene enrichment analysis performed using Gene Ontology resource highlighted pathways associated to obesity such as cholesterol metabolism, Fat digestion and absorption and glycerolipid metabolism. Using string database protein-protein interactions network was built and the network clusters were visualized using Cytoscape software. The protein-protein interactions of the upregulated and downregulated genes were mapped to form a network, wherein PNLIP (Pancreatic lipase) and FTO (Fat mass and obesity associated protein) gene clusters were visualized as densely connected clusters in MCODE. PNLIP and FTO with its associated genes were identified as candidate genes for targeting obesity.

4.
Acta Cardiol ; 78(7): 828-837, 2023 Sep.
Article in English | MEDLINE | ID: mdl-37694719

ABSTRACT

OBJECTIVES: Acute heart failure (AHF) hospitalisation is associated with 10% mortality. Outpatient based management (OPM) of AHF appeared effective in observational studies. We conducted a pilot randomised controlled trial (RCT) comparing OPM with standard inpatient care (IPM). METHODS: We randomised patients with AHF, considered to need IV diuretic treatment for ≥2 days, to IPM or OPM. We recorded all-cause mortality, and the number of days alive and out-of-hospital (DAOH). Quality of life, mental well-being and Hope scores were assessed. Mean NHS cost savings and 95% central range (CR) were calculated from bootstrap analysis. Follow-up: 60 days. RESULTS: Eleven patients were randomised to IPM and 13 to OPM. There was no statistically significant difference in all-cause mortality during the index episode (1/11 vs 0/13) and up to 60 days follow-up (2/11 vs 2/13) [p = .86]. The OPM group accrued more DAOH {47 [36,51] vs 59 [41,60], p = .13}. Two patients randomised to IPM (vs 6 OPM) were readmitted [p = .31]. Hope scores increased more with OPM within 30 days but dropped to lower levels than IPM by 60 days. More out-patients had increased total well-being scores by 60 days (p = .04). OPM was associated with mean cost savings of £2658 (95% CR 460-4857) per patient. CONCLUSIONS: Patients with acute HF randomised to OPM accrued more days alive out of hospital (albeit not statistically significantly in this small pilot study). OPM is favoured by patients and carers and is associated with improved mental well-being and cost savings.


Subject(s)
Heart Failure , Outpatients , Humans , Pilot Projects , Cost Savings , Heart Failure/therapy , Hospitalization
5.
J Physician Assist Educ ; 34(3): 178-187, 2023 Sep 01.
Article in English | MEDLINE | ID: mdl-37467205

ABSTRACT

PURPOSE: The purpose of this study was to describe practices and experiences of rurally oriented physician assistant (PA) training programs in providing rural clinical training to PA students. METHODS: A survey of PA program directors (PDs) included questions about program characteristics, student and clinical preceptor (CP) recruitment in rural areas, and barriers to, and facilitators of, rural clinical training. Programs that considered rural training "very important" to their goals were identified. We interviewed PDs from rurally oriented programs about their rural clinical training and rural CPs about their experiences training PA students for rural practice. We identified key themes through content analysis. RESULTS: Of 178 programs surveyed, 113 (63.5%) responded, 61 (54.0%) of which were rurally oriented and more likely than other programs to recruit rural students or those with rural practice interests and to address rural issues in didactic curriculum. The 13 PDs interviewed linked successful rural training to finding and supporting rural preceptors who enjoy teaching and helping students understand rural communities. The 13 rural CPs identified enthusiastic and rurally interested students as key elements to successful rural training. Interviewees identified systemic barriers to rural training, including student housing, decreased productivity, competition for training slots, and administrative burden. CONCLUSIONS: Physician assistant students can be coached to capitalize on their rural clinical experiences. Knowing how to "jump in" to rotations and having genuine interest in the community are particularly important. Student housing, competition for training slots, and lack of financial incentives are major system-level challenges for sustaining and increasing the availability of PA rural clinical training.


Subject(s)
Physician Assistants , Rural Population , Humans , Physician Assistants/education , Students , Curriculum , Surveys and Questionnaires
6.
Fam Med ; 55(6): 381-388, 2023 06.
Article in English | MEDLINE | ID: mdl-37307389

ABSTRACT

BACKGROUND AND OBJECTIVES: Family physicians are the most common health professional providing rural obstetric (OB) care, but the number of family physicians practicing OB is declining. To address rural/urban disparities in parental and child health, family medicine must provide robust OB training to prepare family physicians to care for parent-newborn dyads in rural communities. This mixed-methods study aimed to inform policy and practice solutions. METHODS: We surveyed 115 rural family medicine residency programs (program directors, coordinators, or faculty) and conducted semistructured interviews with personnel from 10 rural family medicine residencies. We calculated descriptive statistics and frequencies for survey responses. Two authors conducted a directed content analysis of qualitative survey and interview responses. RESULTS: The survey yielded 59 responses (51.3%); responders and nonresponders were not significantly different by geography or program type. Most programs (85.5%) trained residents to provide comprehensive prenatal and postpartum care. Continuity clinic sites were predominantly rural across all years and OB training was largely rural in postgraduate year 2 (PGY2) and PGY3. Almost half of programs listed "competition with other OB providers" (49.1%) and "shortage of family medicine faculty providing OB care" (47.3%) as major challenges. Individual programs tended to report either few challenges or multiple challenges. In qualitative responses, common themes included the importance of faculty interest and skill, community and hospital support, volume, and relationships. CONCLUSIONS: To improve rural OB training, our findings support prioritizing relationships between family medicine and other OB clinicians, sustaining family medicine OB faculty, and developing creative solutions to interrupt cascading and interrelated challenges.


Subject(s)
Physicians, Family , Rural Population , Child , Infant, Newborn , Female , Pregnancy , Humans , Family Practice , Ambulatory Care Facilities , Child Health
7.
Sci Total Environ ; 887: 164025, 2023 Aug 20.
Article in English | MEDLINE | ID: mdl-37169188

ABSTRACT

Per- and polyfluoroalkyl substances (PFAS) are now widespread in the environment. Globally, airfields and paved firefighting training surfaces are particularly affected due to extensive use of aqueous film forming foams (AFFF). This PFAS contamination in exposed concrete and asphalt has not been widely addressed. This review focusses on PFAS interaction with concrete and asphalt, traversing extraction, analytical identification/quantification, PFAS fractionation via differential adsorption on organic and inorganic substrates, and reuse options for contaminated concrete and asphalt. A total of 24 knowledge gaps and management challenges for concrete and asphalt characterisation and management have been identified.

8.
Am J Public Health ; 113(6): 689-699, 2023 06.
Article in English | MEDLINE | ID: mdl-37196230

ABSTRACT

Objectives. To compare rural versus urban local public health workforce competencies and training needs, COVID-19 impact, and turnover risk. Methods. Using the 2021 Public Health Workforce Interest and Needs Survey, we examined the association between local public health agency rural versus urban location in the United States (n = 29 751) and individual local public health staff reports of skill proficiencies, training needs, turnover risk, experiences of bullying due to work as a public health professional, and posttraumatic stress disorder symptoms attributable to COVID-19. Results. Rural staff had higher odds than urban staff of reporting proficiencies in community engagement, cross-sectoral partnerships, and systems and strategic thinking as well as training needs in data-based decision-making and in diversity, equity, and inclusion. Rural staff were also more likely than urban staff to report leaving because of stress, experiences of bullying, and avoiding situations that made them think about COVID-19. Conclusions. Our findings demonstrate that rural staff have unique competencies and training needs but also experience significant stress. Public Health Implications. Our findings provide the opportunity to accurately target rural workforce development trainings and illustrate the need to address reported stress and experiences of bullying. (Am J Public Health. 2023;113(6):689-699. https://doi.org/10.2105/AJPH.2023.307273).


Subject(s)
COVID-19 , Public Health , Humans , United States/epidemiology , Public Health/education , Health Workforce , COVID-19/epidemiology , Workforce , Surveys and Questionnaires
9.
Fam Med ; 55(7): 426-432, 2023 07.
Article in English | MEDLINE | ID: mdl-37099387

ABSTRACT

BACKGROUND AND OBJECTIVES: Although rural family medicine residency programs are effective in placing trainees into rural practice, many struggle to recruit students. Lacking other public measures, students may use residency match rates as a proxy for program quality and value. This study documents match rate trends and explores the relationship between match rates and program characteristics, including quality measures and recruitment strategies. METHODS: Using a published listing of rural programs, 25 years of National Resident Matching Program data, and 11 years of American Osteopathic Association match data, this study (1) documents patterns in initial match rates for rural versus urban residency programs, (2) compares rural residency match rates with program characteristics for match years 2009-2013, (3) examines the association of match rates with program outcomes for graduates in years 2013-2015, and (4) explores recruitment strategies using residency coordinator interviews. RESULTS: Despite increases in positions offered over 25 years, the fill rates for rural programs have improved relative to urban programs. Small rural programs had lower match rates relative to urban programs, but no other program or community characteristics were predictors of match rate. Match rates were not indicative of any of five measures of program quality nor of any single recruiting strategy. CONCLUSIONS: Understanding the intricacies of rural residency inputs and outcomes is key to addressing rural workforce gaps. Match rates likely reflect challenges of rural workforce recruitment generally and should not be conflated with program quality.


Subject(s)
Family Practice , Internship and Residency , Humans , Family Practice/education , Workforce , Personnel Selection
10.
J Immigr Minor Health ; 25(6): 1270-1278, 2023 Dec.
Article in English | MEDLINE | ID: mdl-37084020

ABSTRACT

Internationally educated immigrant healthcare workers face skill underutilization working in lower-skilled healthcare jobs or outside healthcare. This study explored barriers to and solutions for integrating immigrant health professionals. Content analysis identifying key themes from semi-structured qualitative interviews with representatives from Welcome Back Centers (WBCs) and partner organizations. 18 participants completed interviews. Barriers facing immigrant health professionals included lack of access to resources, financial constraints, language difficulties, credentialing challenges, prejudice, and investment in current occupations. Barriers facing programs that assist immigrant health professionals included eligibility restrictions, funding challenges, program workforce instability, recruitment difficulties, difficulty maintaining connection, and pandemic challenges. Long-term program success depended on partner networks, advocacy, addressing prejudice, a client-centered approach, diverse resources and services, and conducting research. Initiatives to integrate immigrant health professionals require multi-level responses to diverse needs and collaborations among organizations that support immigrant health professionals, healthcare systems, labor, and other stakeholders.


Subject(s)
Emigrants and Immigrants , Health Services Accessibility , Humans , Health Personnel , Occupations , Workforce , Qualitative Research
11.
Milbank Q ; 101(S1): 841-865, 2023 04.
Article in English | MEDLINE | ID: mdl-37096630

ABSTRACT

Policy Points Although a single definition of the population health workforce does not yet exist, this workforce needs to have the skills and competencies to address the social determinants of health, to understand intersectionality, and to coordinate and work in concert with an array of skilled providers in social and health care to address multiple health drivers. On-the-job training programs and employer support are needed for the current health workforce to gain skills and competencies to address population health. Funding and leadership combined are critical for developing the population health workforce with the goal of supporting a broad set of workers beyond health and social care to include, for example, those in urban planning, law enforcement, or transportation professions to address population health.


Subject(s)
Delivery of Health Care , Health Workforce , Humans , Workforce
12.
Fam Med ; 55(3): 152-161, 2023 03.
Article in English | MEDLINE | ID: mdl-36888669

ABSTRACT

BACKGROUND AND OBJECTIVES: The quality of training in rural family medicine (FM) residencies has been questioned. Our objective was to assess differences in academic performance between rural and urban FM residencies. METHODS: We used American Board of Family Medicine (ABFM) data from 2016-2018 residency graduates. Medical knowledge was measured by the ABFM in-training examination (ITE) and Family Medicine Certification Examination (FMCE). The milestones included 22 items across six core competencies. We measured whether residents met expectations on each milestone at each assessment. Multilevel regression models determined associations between resident and residency characteristics milestones met at graduation, FMCE score, and failure. RESULTS: Our final sample was 11,790 graduates. First-year ITE scores were similar between rural and urban residents. Rural residents passed their initial FMCE at a lower rate than urban residents (96.2% vs 98.9%) with the gap closing upon later attempts (98.8% vs 99.8%). Being in a rural program was not associated with a difference in FMCE score but was associated with higher odds of failure. Interactions between program type and year were not significant, indicating equal growth in knowledge. The proportions of rural vs urban residents who met all milestones and each of six core competencies were similar early in residency but diverged over time with fewer rural residents meeting all expectations. CONCLUSIONS: We found small, but persistent differences in measures of academic performance between rural- and urban-trained FM residents. The implications of these findings in judging the quality of rural programs are much less clear and warrant further study, including their impact on rural patient outcomes and community health.


Subject(s)
Academic Success , Internship and Residency , Humans , United States , Family Practice/education , Educational Measurement , Clinical Competence , Certification
13.
Fam Med ; 55(3): 162-170, 2023 03.
Article in English | MEDLINE | ID: mdl-36888670

ABSTRACT

BACKGROUND AND OBJECTIVES: Little is known about how rural and urban family medicine residencies compare in preparing physicians for practice. This study compared the perceptions of preparation for practice and actual postgraduation scope of practice (SOP) between rural and urban residency program graduates. METHODS: We analyzed data on 6,483 early-career, board-certified physicians surveyed 2016-2018, 3 years after residency graduation, and 44,325 later-career board-certified physicians surveyed 2014-2018, every 7 to 10 years after initial certification. Bivariate comparisons and multivariate regressions of rural and urban residency graduates examined perceived preparedness and current practice in 30 areas and overall SOP using a validated scale, with separate models for early-career and later-career physicians. RESULTS: In bivariate analyses, rural program graduates were more likely than urban program graduates to report being prepared for hospital-based care, casting, cardiac stress tests, and other skills, but less likely to be prepared in some gynecologic care and pharmacologic HIV/AIDS management. Both early- and later-career rural program graduates reported broader overall SOPs than their urban-program counterparts in bivariate analyses; in adjusted analyses this difference remained significant only for later-career physicians. CONCLUSIONS: Compared with urban program graduates, rural graduates more often rated themselves prepared in several hospital care measures and less often in certain women's health measures. Controlling for multiple characteristics, only rurally trained, later-career physicians reported a broader SOP than their urban program counterparts. This study demonstrates the value of rural training and provides a baseline for research exploring longitudinal benefits of this training to rural communities and population health.


Subject(s)
Internship and Residency , Rural Health Services , Humans , Female , Family Practice/education , Physicians, Family , Rural Population , Professional Practice Location , Surveys and Questionnaires , Career Choice
14.
Ann Fam Med ; 21(Suppl 2): S82-S83, 2023 02.
Article in English | MEDLINE | ID: mdl-36849468

ABSTRACT

Both research and medical education make substantial contributions to rural primary care and health. An inaugural Scholarly Intensive for Rural Programs was conducted in January 2022 to connect rural programs within a community of practice focused on promoting scholarly activity and research in rural primary health care, education, and training. Participant evaluations confirmed that key learning objectives were met, including stimulating scholarly activity in rural health professions education programs, providing a forum for faculty and student professional development, and growing a community of practice that supports education and training in rural communities. This novel strategy brings enduring scholarly resources to rural programs and the communities they serve, teaches skills to health profession trainees and rurally located faculty, empowers clinical practices and educational programs, and supports the discovery of evidence that can improve the health of rural people.


Subject(s)
Education, Medical , Rural Population , Humans , Educational Status , Learning , Primary Health Care
15.
Ann Fam Med ; 21(Suppl 2): S14-S21, 2023 02.
Article in English | MEDLINE | ID: mdl-36849483

ABSTRACT

PURPOSE: We undertook a study to evaluate the current state of pedagogy on antiracism, including barriers to implementation and strengths of existing curricula, in undergraduate medical education (UME) and graduate medical education (GME) programs in US academic health centers. METHODS: We conducted a cross-sectional study with an exploratory qualitative approach using semistructured interviews. Participants were leaders of UME and GME programs at 5 institutions participating in the Academic Units for Primary Care Training and Enhancement program and 6 affiliated sites from November 2021 to April 2022. RESULTS: A total of 29 program leaders from the 11 academic health centers participated in this study. Three participants from 2 institutions reported the implementation of robust, intentional, and longitudinal antiracism curricula. Nine participants from 7 institutions described race and antiracism-related topics integrated into health equity curricula. Only 9 participants reported having "adequately trained" faculty. Participants mentioned individual, systemic, and structural barriers to implementing antiracism-related training in medical education such as institutional inertia and insufficient resources. Fear related to introducing an antiracism curriculum and undervaluing of this curriculum relative to other content were identified. Through learners and faculty feedback, antiracism content was evaluated and included in UME and GME curricula. Most participants identified learners as a stronger voice for transformation than faculty; antiracism content was mainly included in health equity curricula. CONCLUSIONS: Inclusion of antiracism in medical education requires intentional training, focused institutional policies, enhanced foundational awareness of the impact of racism on patients and communities, and changes at the level of institutions and accreditation bodies.


Subject(s)
Antiracism , Education, Medical , Humans , Cross-Sectional Studies , Curriculum , Education, Medical, Graduate
16.
J Mol Graph Model ; 120: 108414, 2023 05.
Article in English | MEDLINE | ID: mdl-36702059

ABSTRACT

Nature plays a major role in the development of new drugs which helps in preventing and treating human diseases. Anti-obesity compound database (AOCD) contains comprehensive information on all published small molecules from natural sources with anti-obesity potential targeting pancreatic lipase (PL), appetite suppressant (AS) and adipogenesis (AD). Presently the database contains 349 compounds isolated from 307 plants, 26 marine and 16 microbial sources. Users can query the AOCD database (https://aocd.swmd.co.in/) in several ways. The database was divided into three datasets (PL, AS and AD) to perform chemoinformatic analysis using Platform for Unified Molecular Analysis (PUMA), which were analyzed based on molecular descriptors, scaffold diversity and structural fingerprint diversity. Chemoinformatics study inferred the PL dataset has the highest diversity of compounds based on the Euclidean distance on molecular properties, scaffold diversity and pairwise similarity on fingerprint diversity. This study would hasten the process of anti-obesity drug discovery.


Subject(s)
Obesity , Humans , Databases, Factual , Obesity/drug therapy
17.
J Rural Health ; 39(3): 545-550, 2023 06.
Article in English | MEDLINE | ID: mdl-36702631

ABSTRACT

PURPOSE OF STUDY: Medical students who identify as Black, Indigenous, and People of Color (BIPOC) regularly experience mistreatment and discrimination. This study sought to understand these student experiences during rotations in rural and urban underserved community teaching sites. METHODS: Self-identified BIPOC medical students who completed the University of Washington School of Medicine's Rural Underserved Opportunities Program from 2019 through 2021 were invited to participate in a 60- to 90-minute focus group discussion via Zoom. From August to September 2021, 4 focus groups and 1 individual interview were conducted with a total of 12 participants. A current BIPOC medical student facilitated the sessions utilizing questions developed by the research team. Four study team members coded transcripts for key themes related to experiences of microaggressions. FINDINGS: All participants reported having an overall positive experience, but everyone also witnessed and/or experienced at least 1 microaggression. Unlike those in urban placements, participants placed in rural sites expressed anxiety about being in predominantly White communities and experienced feelings of racial and/or ethnic isolation during the rotation. Participants recommended that rural preceptors identify themselves as trusted advocates and the program should prioritize placing BIPOC students at diverse clinical sites. CONCLUSIONS: Medical schools must take action to address the mistreatment of BIPOC medical students in the clinical environment. Schools and rural training sites need to consider how to best support students to create an equitable learning environment and recruit more BIPOC physicians to rural practice.


Subject(s)
Rural Health Services , Students, Medical , Humans , Ethnic and Racial Minorities , Ethnicity , Minority Groups , Focus Groups
18.
J Complement Integr Med ; 20(3): 637-649, 2023 Sep 01.
Article in English | MEDLINE | ID: mdl-34679263

ABSTRACT

OBJECTIVES: The current pandemic caused by Severe Acute Respiratory Syndrome Corona-Virus 2 (SARS-CoV-2) has become a global health menace with significant morbidity and mortality besides huge socioeconomic implications. Despite the approval of few vaccines for the prevention of the disease, the discovery of safe and effective countermeasures especially from natural sources is of paramount importance, as the number of cases continues escalating. Arq Ajib has long been used for various diseases and its ingredients have been reported for antiviral, antimicrobial, antipyretic, anti-inflammatory, antioxidant activities. The present study investigates the inhibitory effect of phytocompound of Arq Ajib on potential drug targets of SARS-CoV-2. METHODS: The structures of phytocompounds present in Arq Ajib were retrieved from PubChem database and some were illustrated using Marvin Sketch. SARS-CoV-2 S glycoprotein (PDB ID: 6LZG) and 3CLpro (PDB ID: 7BQY) were selected as the target protein. Dock Prep module in UCSF Chimera software was used for receptor structure processing. AutoDock Vina was used to calculate the binding affinities between the protein and ligands and to predict most promising compounds with best scores. RESULTS: Molecular docking results predicted that the phytocompounds of Arq Ajib had good binding affinity and interaction with S glycoprotein and 3CLpro. Quercetin and Isorhoifolin from Mentha arvensis were identified as promising candidates with the potential to interact with 3CLpro and spike glycoprotein and inhibit the viral replication and its entry into the host. CONCLUSIONS: Arq Ajib may prove valuable for developing novel therapeutic candidate for COVID-19; however, it has to be substantiated further with in-vitro and in-vivo studies.

19.
J Biomol Struct Dyn ; 41(11): 4863-4872, 2023 07.
Article in English | MEDLINE | ID: mdl-35575483

ABSTRACT

Obesity is considered a global crisis because of its increased risk factors triggered by lifestyle changes. The prevalence of this condition is increasing at an alarming rate, giving rise to development of novel drugs. Pancreatic lipase possesses higher efficacy in inhibiting this condition among the other drug targets. In this study, virtual screening of 126 plant-derived anti-obesity compounds and 1110 marine algal compounds from seaweed metabolite database were screened and targeted against pancreatic lipase and ranked based on their binding affinity values. A total of 530 compounds that possessed best docked scores of less than -6 kcal/mol were checked for Lipinski's properties through Swiss ADME. Furthermore, these compounds were subjected to toxicity prediction using PROTOX II server. As much as 38 compounds were found to be non-toxic and were subjected to molecular docking analysis. Based on the binding energy, the following compounds RG012 (-10.15 kcal/mol), LIG42 (-9.7 kcal/mol), BC010 (-8.47 kcal/mol), RL073 (-8.2 kcal/mol), and LIG46 (-8.03 kcal/mol) were selected exhibiting higher binding affinity when compared to the standard drug (Orlistat) and hence these compounds were subjected to molecular dynamics simulation using GROMACS. BC010 complex revealed a stable interaction within the binding pocket and the binding free energy is -158.208 kJ/mol which is higher when compared to other complexes in 100 ns simulation. BC010 ((7S,11S,12S,14R)-4',14-dimethoxyamentol) from brown algae Cystophora fibrosa could be considered as a potential drug candidate to suppress obesity by inhibiting pancreatic lipase.Communicated by Ramaswamy H. Sarma.


Subject(s)
Obesity Management , Humans , Molecular Docking Simulation , Lipase , Molecular Dynamics Simulation , Obesity
20.
J Rural Health ; 39(3): 529-534, 2023 06.
Article in English | MEDLINE | ID: mdl-36443985

ABSTRACT

PURPOSE: Little research has been conducted on the outcomes of postgraduate nurse practitioner (NP) programs (referred to as residencies), particularly those located in rural communities. This study examined the purpose and characteristics of rural NP residencies that aim to promote the successful recruitment, transition, and retention of NPs in rural primary care practice. METHODS: We compiled a list of rural NP residencies and verified the location of each clinic as rural if it met any of several federal definitions of rurality. We interviewed grant and project administrators, residency program directors, clinic personnel, and former and current NP residents using semistructured guides. FINDINGS: Of 20 rural NP residencies identified, we interviewed 12 program directors or managers; 8 NPs; and 4 clinic personnel. All but 1 program was 12 months long. Three-quarters had federal funding. Each slowly increased residents' patient load and included didactic content and specialty rotations. We identified 2 different program models and 3 administrative models. Some NPs' intentionally chose rural practice, while others opted for a rural residency when unable to secure employment in an urban location. Most programs were new and not yet able to report on residents' subsequent employment locations. CONCLUSIONS: It is premature to conclude definitively that rural NP residencies facilitate and promote NP connectedness to, and investment in, rural communities based on our investigation. Nonetheless, these programs are an option to encourage the recruitment and retention of NPs in rural practice, with further study needed to determine their long-term contribution to rural primary care practice.


Subject(s)
Internship and Residency , Nurse Practitioners , Humans , Rural Population , Workforce , Primary Health Care
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