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  1. The predictive machine learning model of a hydrated inverse vulcanized copolymer for effective mercury sequestration from wastewater
    Ghumman ASM, Shamsuddin R, Abbasi A, Ahmad M, Yoshida Y, Sami A, et al.
    Sci Total Environ, 2024 Jan 15;908:168034.
    PMID: 37924888 DOI: 10.1016/j.scitotenv.2023.168034
    Inverse vulcanized polysulfides (IVP) are promising sulfur-enriched copolymers with unconventional properties irresistible for diverse applications like Hg2+ remediation. Nevertheless, due to their inherent hydrophobic nature, these copolymers still offer low Hg2+ uptake capacity. Herein, we reported the synthesis of IVP by reacting molten sulfur with 4-vinyl benzyl chloride, followed by their functionalization using N-methyl D-glucamine (NMDG) to increase the hydration of the developed IVP. The chemical composition and structure of the functionalized IVP were proposed based on FTIR and XPS analysis. The functionalized IVP demonstrated a high mercury adsorption capacity of 608 mg/g (compared to <26 mg/g for common IVP) because of rich sulfur and hydrophilic regions. NMDG functionalized IVP removed 100 % Hg2+ from a low feed concentration (10-50 mg/l). A predictive machine learning model was also developed to predict the amount of mercury removed (%) using GPR, ANN, Decision Tree, and SVM algorithms. Hyperparameter and loss function optimization was also carried out to reduce the prediction error. The optimized GPR algorithm demonstrated high R2 (0.99 (training) and 0.98 (unseen)) and low RMSE (2.74 (training) and 2.53 (unseen)) values indicating its goodness in predicting the amount of mercury removed. The produced functionalized IVP can be regenerated and reused with constant Hg2+ uptake capacity. Sulfur is the waste of the petrochemical industry and is abundantly available, making the functionalized IVP a sustainable and cheap adsorbent that can be produced for high-volume Hg2+ remediation. ENVIRONMENTAL IMPLICATION: This research effectively addresses the removal of the global top-priority neurotoxic pollutant mercury, which is toxic even at low concentrations. We attempted to remove the Hg2+ utilizing an inexpensive adsorbent developed by NMDG functionalized copolymer of molten sulfur and VBC. A predictive machine learning model was also formulated to predict the amount of mercury removal from wastewater with only a 0.05 % error which shows the goodness of the developed model. This work is critical in utilizing this low-cost adsorbent and demonstrates its potential for large-scale industrial application.
  2. The nexus between government spending, economic growth, and tourism under climate change: testing the CEM model for the USA
    Bulut U, Ongan S, Dogru T, Işık C, Ahmad M, Alvarado R, et al.
    Environ Sci Pollut Res Int, 2023 Aug;30(36):86138-86154.
    PMID: 37400702 DOI: 10.1007/s11356-023-28319-w
    This study examines the impact of government spending, income, and tourism consumption on CO2 emissions in the 50 US states through a novel theoretical model derived from the Armey Curve model and the Environmental Kuznets Curve hypothesis. The findings of this research are essential for policymakers to develop effective strategies for mitigating environmental pollution. Utilizing panel cointegration analysis, the study provides valuable insights into whether continued increases in government spending contribute to higher pollution levels. By identifying the threshold point of spending as a percentage of GDP, policymakers can make informed decisions to avoid the trade-off between increased spending and environmental degradation. For instance, the analysis reveals that Hawaii's tipping point is 16.40%. The empirical results underscore the importance of adopting sustainable policies that foster economic growth while minimizing environmental harm. These findings will aid policymakers in formulating targeted and efficient approaches to tackle climate change and promote long-term environmental sustainability in the United States. Moreover, the impact of tourism development on CO2 emissions varies across states, with some US states experiencing a decrease while others see an increase.
  3. Fulltext The impact factor of an open access journal does not contribute to an article's citations
    Chua SK, Qureshi AM, Krishnan V, Pai DR, Kamal LB, Gunasegaran S, et al.
    F1000Res, 2017;6:208.
    PMID: 28649365 DOI: 10.12688/f1000research.10892.1
    Background Citations of papers are positively influenced by the journal's impact factor (IF). For non-open access (non-OA) journals, this influence may be due to the fact that high-IF journals are more often purchased by libraries, and are therefore more often available to researchers, than low-IF journals. This positive influence has not, however, been shown specifically for papers published in open access (OA) journals, which are universally accessible, and do not need library purchase. It is therefore important to ascertain if the IF influences citations in OA journals too. Methods 203 randomized controlled trials (102 OA and 101 non-OA) published in January 2011 were included in the study. Five-year citations for papers published in OA journals were compared to those for non-OA journals. Source papers were derived from PubMed. Citations were retrieved from Web of Science, Scopus, and Google Scholar databases. The Thompson-Reuter's IF was used. Results OA journals were found to have significantly more citations overall compared to non-OA journals (median 15.5 vs 12, p=0.039). The IF did not correlate with citations for OA journals (Spearman's rho =0.187, p=0.60). The increase in the citations with increasing IF was minimal for OA journals (beta coefficient = 3.346, 95% CI -0.464, 7.156, p=0.084). In contrast, the IF did show moderate correlation with citations for articles published in non-OA journals (Spearman's rho=0.514, p<0.001). The increase in the number of citations was also significant (beta coefficient = 4.347, 95% CI 2.42, 6.274, p<0.001). Conclusion It is better to publish in an OA journal for more citations. It may not be worth paying high publishing fees for higher IF journals, because there is minimal gain in terms of increased number of citations. On the other hand, if one wishes to publish in a non-OA journal, it is better to choose one with a high IF.
  4. The electrochemical behaviour of ferrocene in a photocurable poly(methyl methacrylate-co-2-hydroxylethyl methacrylate) film for a glucose biosensor
    Bean LS, Heng LY, Yamin BM, Ahmad M
    Bioelectrochemistry, 2005 Feb;65(2):157-62.
    PMID: 15713567
    A single-step fabrication of a glucose biosensor with simultaneous immobilization of both ferrocene mediator and glucose oxidase in a photocurable methacrylic film consisting of poly(methyl methacrylate-co-2-hydroxylethyl methacrylate) was reported. The entrapped ferrocene showed reversible redox behaviour in the photocured film and no significant leaching of both entrapped ferrocene and enzyme glucose oxidase was observed because of the low water absorption properties of the co-polymer films. From electrochemical studies, ferrocene entrapped in the co-polymer film demonstrated slow diffusion properties. A linear glucose response range of 2-11 mM was obtained at low applied potential of +0.25 V. The glucose biosensor fabricated by this photocuring method yielded sensor reproducibility and repeatability with relative standard deviation of <10% and long-term stability of up to 14 days. The main advantage of the use of photocurable procedure is that biosensor membrane fabrication can be performed in a single step without any lengthy chemical immobilization of enzyme.
  5. Fulltext The effect of wearing sanitary napkins of different thicknesses on physiological and psychological responses in Muslim females
    Mohamed NG, Abidin NZ, Law KS, Abe M, Suzuki M, Muhamed AM, et al.
    J Physiol Anthropol, 2014;33:28.
    PMID: 25189184 DOI: 10.1186/1880-6805-33-28
    Menstruation is associated with significant unpleasantness, and wearing a sanitary napkin (SN) during menses causes discomfort. In addition, many Muslim women use a thick type of SN during menses due to the religious requirement that even disposable SNs be washed before disposal. Therefore, the objective of this study was to measure the physiological and psychological responses to wearing SNs of different thicknesses during menstruation and non-menstruation phases at rest and during physical activity/exercise among Muslim women.
  6. The adsorption of heavy metal by Bornean oil palm shell and its potential application as constructed wetland media
    Chong HL, Chia PS, Ahmad MN
    Bioresour Technol, 2013 Feb;130:181-6.
    PMID: 23306127 DOI: 10.1016/j.biortech.2012.11.136
    Oil palm shell, a waste from palm oil industry, was cleaned and utilized as adsorbent. Its particle size distribution gave the uniformity coefficient of approximately two indicating that it can be used as filter bed media for continuous operation without resting. Its measured pH(pzc) of 4.1 is below the common pH of constructed wetland water body suggesting positive adsorption for heavy metal. The effect of various parameters on its adsorption was studied via batch experiments. The adsorption of Cu(II) and Pb(II) ions by oil palm shell showed a slightly better fit with the Freundlich compared to Langmuir. Its monolayer adsorption capacities were found to be 1.756 and 3.390mg/g for Cu(II) and Pb(II), respectively. High correlation coefficient of over 0.99 given by the pseudo-second-order model suggests that the rate limiting factor may be chemisorption. These findings suggest its potential application as constructed wetland media for the removal of heavy metal.
  7. The Middle East and North Africa Diagnosis and Management Guidelines for Inborn Errors of Immunity
    Baris S, Abolhassani H, Massaad MJ, Al-Nesf M, Chavoshzadeh Z, Keles S, et al.
    J Allergy Clin Immunol Pract, 2023 Jan;11(1):158-180.e11.
    PMID: 36265766 DOI: 10.1016/j.jaip.2022.10.003
    Human inborn errors of immunity (IEI) are a group of 485 distinct genetic disorders affecting children and adults. Signs and symptoms of IEI are heterogeneous, and accurate diagnosis can be challenging and depends on the available human expertise and laboratory resources. The Middle East and North Africa (MENA) region has an increased prevalence of IEI because of the high rate of consanguinity with a predominance of autosomal recessive disorders. This area also exhibits more severe disease phenotypes compared with other regions, probably due to the delay in diagnosis. The MENA-IEI registry network has designed protocols and guidelines for the diagnosis and treatment of IEI, taking into consideration the variable regional expertise and resources. These guidelines are primarily meant to improve the care of patients within the region, but can also be followed in other regions with similar patient populations.
  8. The Malaysian Elders Longitudinal Research (MELoR): Prevalence and Factors Associated With Vision Impairment in an Urban Population in Malaysia
    Jamaluddin Ahmad M, Maw Pin T, Khaliddin N, Effendi-Tenang I, Amir NN, Kamaruzzaman SB, et al.
    Asia Pac J Public Health, 2020 12 29;33(2-3):280-286.
    PMID: 33375833 DOI: 10.1177/1010539520983667
    Low vision and blindness are major health issues affecting ageing population. This cross-sectional study aims to determine the prevalence of visual impairment (VI) in Petaling Jaya North, Petaling Jaya South, and Lembah Pantai using data from the Malaysian Elders Longitudinal Research. There were 1322 participants aged ≥55 years selected by random sampling from parliamentary electoral rolls. Visual acuity was assessed using the logarithm of the minimum angle of resolution chart at 4 m distance. The overall population-adjusted prevalence of VI was 9.0%. The estimated prevalence of VI was highest in Malays followed by Indians and Chinese. Following adjustments for ethnic discrepancies in age, marital status, education level, gender and medical illness, the Malay ethnicity remained an independent association for VI. Education level was associated with Indian ethnicity. In conclusion, the Malay ethnicity and lower education level among Indian ethnicity were found to be associated with VI among the older population in Malaysia. The Malay ethnicity showed the highest prevalence of VI followed by Indians and Chinese.
  9. Fulltext The Kuwait National Primary Immunodeficiency Registry 2004-2018
    Al-Herz W, Al-Ahmad M, Al-Khabaz A, Husain A, Sadek A, Othman Y
    Front Immunol, 2019;10:1754.
    PMID: 31396239 DOI: 10.3389/fimmu.2019.01754
    Objective: To present the report from the Kuwait National Primary Immunodeficiency Registry between 2004 and 2018. Methods: The patients were followed prospectively between January 2004 and December 2018 and their collected data included sociodemographic, diagnosis, clinical presentation, laboratory tests, and treatment. Results: A total of 314 PID patients (165 males and 149 females) were registered during the study period. Most of the patients (n = 287, 91.4%) were Kuwaiti nationals and the prevalence among Kuwaitis was 20.27/100,000 with a cumulative incidence of 24.96/100,000 Kuwaitis. The distribution of the patients according to PID categories was as follow: immunodeficiencies affecting cellular and humoral immunity, 100 patients (31.8%); combined immunodeficiencies with associated syndromic features, 68 patients (21.7%); predominantly antibody deficiencies, 56 patients (17.8%); diseases of immune dysregulation, 47 patients (15%); congenital defects of phagocyte number or function, 20 patients (6.4%); autoinflammatory disorders, 1 patient (0.3%); and complement deficiencies, 22 patients (7%). The mean age of the patients at onset of symptoms was 26 months while the mean age at diagnosis was 53 months and the mean delay in diagnosis was 27 months. Most of the patients (n = 272, 86%) had onset of symptoms before the age of 5 years. Parental consanguinity rate within the registered patients was 78% and a positive family history of PID was noticed in 50% of the patients. Genetic testing was performed in 69% of the patients with an overall diagnostic yield of 90%. Mutations were identified in 46 different genes and more than 90% of the reported genetic defects were transmitted by an autosomal recessive pattern. Intravenous immunoglobulins and stem cell transplantation were used in 58% and 25% of the patients, respectively. There were 81 deaths (26%) among the registered patients with a mean age of death of 25 months. Conclusions: PID is not infrequent in Kuwait and the reported prevalence is the highest in the literature with increased proportion of more severe forms. Collaborative efforts including introduction of newborn screening should be implemented to diagnose such cases earlier and improve the quality of life and prevent premature deaths.
  10. The Internal Reliability of Family Crisis Oriented Personal Evaluation Scale (F-COPES) in Malay version among caregivers of individual with learning disabilities
    Alwi N, Harun D, Omar B, Ahmad M, Zagan M, Leonard JH
    Clin Ter, 2015 Nov-Dec;166(6):e361-4.
    PMID: 26794817 DOI: 10.7417/T.2015.1901
    Caregivers face challenges to adapt while handling individual with learning disabilities (LD). The Family Crisis Oriented Personal Evaluation Scale (F-COPES) is a widely used instrument to measure coping strategies among caregivers. The current study performed cross cultural translation of F-COPES in Malay language. This study aims to examine the reliability by testing internal consistency of Malay version of F-COPES which is developed through back to back translation method from original English version.
  11. Fulltext The Effects of Circadian Rhythm Disruption on Mental Health and Physiological Responses among Shift Workers and General Population
    Ahmad M, Md Din NSB, Tharumalay RD, Che Din N, Ibrahim N, Amit N, et al.
    Int J Environ Res Public Health, 2020 09 30;17(19).
    PMID: 33007836 DOI: 10.3390/ijerph17197156
    Background: The effect of circadian disruption on the bio-psychological clock system has been widely studied. However, the mechanism and the association of circadian rhythm disruption with mental health and physiological responses are still unclear. Therefore, this study was conducted to investigate the effects of circadian rhythm disruption on mental health and physiological responses among shift workers and the general population. Methods: A total of 42 subjects participated in this quasi-experimental study. Participants were divided into a group of shift workers (n = 20) and a general population group (n = 22). Polysomnography tests, blood tests (cortisol, triglycerides and glucose), and psychological tests (Abbreviated Profile of Mood States, General Health Questionnaire-28, Working Memory and Processing Speed Indexes of the Wechsler Adult Intelligent Scale (WAIS-IV) were used to examine the effects of circadian rhythm disruption. Results: The results showed a significant relationship between circadian rhythm disruption and mood (r = 0.305, p < 0.05). The findings of this study also indicated that there was a significant effect of circadian rhythm disruption on mood (F(2,40) = 8.89, p < 0.001, η2 =0.182), processing speed (F(2,40) = 9.17, p < 0.001, η2 = 0.186) and working memory (F(2,40) = 4.963, p < 0.01, η2 = 0.11) in shift workers and the general population. Conclusions: Our findings showed that circadian rhythm disruption affects mood and cognitive performance, but it does not significantly affect psychological wellbeing and physiological responses. Future studies are warranted to examine moderator and mediator variables that could influence the circadian rhythm disruption.
  12. The Economic Impact of Managing Late Presentation of Developmental Dysplasia of Hip (DDH)
    Anuar R, Mohd-Hisyamudin HP, Ahmad MH, Zulkiflee O
    Malays Orthop J, 2015 Nov;9(3):40-43.
    PMID: 28611908 MyJurnal DOI: 10.5704/MOJ.1511.006
    Delayed presentation of Developmental Dysplasia of Hip (DDH) comes with challenges in treatment as well as high surgical cost. Therefore the objective of this study is to quantify the economic impact of management of late presentation of DDH during a last 3-year period. We conducted a retrospective study with analysis of DDH cases managed between years 2012 to 2014. Early and late presentations of DDH were identified and cost management for both was estimated. Out of twenty-four DDH cases, thirteen cases fulfilled the inclusion criteria. All were female with majority of them presenting with unilateral DDH predominantly of the left hip. Most patients presented after age of six months and the principal complaint was abnormal or limping gait. The grand total cost for managing DDH during the three years period was USD 12,385.51, with 86% of the amount having been used to manage late presentation of DDH that was mostly contributed by the cost of surgery. We concluded that delayed presentation of DDH contributes heavily to high national expenditure. Early detection of DDH cases with systematic neonatal screening may help to minimize the incidence of the late presenting DDH and subsequently reduce the economic burden to the government.
  13. Fulltext The Associations of Dyadic Coping and Relationship Satisfaction Vary between and within Nations: A 35-Nation Study
    Hilpert P, Randall AK, Sorokowski P, Atkins DC, Sorokowska A, Ahmadi K, et al.
    Front Psychol, 2016;7:1106.
    PMID: 27551269 DOI: 10.3389/fpsyg.2016.01106
    OBJECTIVE: Theories about how couples help each other to cope with stress, such as the systemic transactional model of dyadic coping, suggest that the cultural context in which couples live influences how their coping behavior affects their relationship satisfaction. In contrast to the theoretical assumptions, a recent meta-analysis provides evidence that neither culture, nor gender, influences the association between dyadic coping and relationship satisfaction, at least based on their samples of couples living in North America and West Europe. Thus, it is an open questions whether the theoretical assumptions of cultural influences are false or whether cultural influences on couple behavior just occur in cultures outside of the Western world.

    METHOD: In order to examine the cultural influence, using a sample of married individuals (N = 7973) from 35 nations, we used multilevel modeling to test whether the positive association between dyadic coping and relationship satisfaction varies across nations and whether gender might moderate the association.

    RESULTS: RESULTS reveal that the association between dyadic coping and relationship satisfaction varies between nations. In addition, results show that in some nations the association is higher for men and in other nations it is higher for women.

    CONCLUSIONS: Cultural and gender differences across the globe influence how couples' coping behavior affects relationship outcomes. This crucial finding indicates that couple relationship education programs and interventions need to be culturally adapted, as skill trainings such as dyadic coping lead to differential effects on relationship satisfaction based on the culture in which couples live.

  14. Fulltext Ternary copper(II) complex: NCI60 screening, toxicity studies, and evaluation of efficacy in xenograft models of nasopharyngeal carcinoma
    Ahmad M, Suhaimi SN, Chu TL, Abdul Aziz N, Mohd Kornain NK, Samiulla DS, et al.
    PLoS One, 2018;13(1):e0191295.
    PMID: 29329342 DOI: 10.1371/journal.pone.0191295
    Copper(II) ternary complex, [Cu(phen)(C-dmg)(H2O)]NO3 was evaluated against a panel of cell lines, tested for in vivo efficacy in nasopharyngeal carcinoma xenograft models as well as for toxicity in NOD scid gamma mice. The Cu(II) complex displayed broad spectrum cytotoxicity against multiple cancer types, including lung, colon, central nervous system, melanoma, ovarian, and prostate cancer cell lines in the NCI-60 panel. The Cu(II) complex did not cause significant induction of cytochrome P450 (CYP) 3A and 1A enzymes but moderately inhibited CYP isoforms 1A2, 2C9, 2C19, 2D6, 2B6, 2C8 and 3A4. The complex significantly inhibited tumor growth in nasopharyngeal carcinoma xenograft bearing mice models at doses which were well tolerated without causing significant or permanent toxic side effects. However, higher doses which resulted in better inhibition of tumor growth also resulted in toxicity.
  15. Fulltext Telemedicine to deliver diabetes care in low- and middle-income countries: a systematic review and meta-analysis
    Correia JC, Meraj H, Teoh SH, Waqas A, Ahmad M, Lapão LV, et al.
    Bull World Health Organ, 2021 Mar 01;99(3):209-219B.
    PMID: 33716343 DOI: 10.2471/BLT.19.250068
    Objective: To determine the effectiveness of telemedicine in the delivery of diabetes care in low- and middle-income countries.

    Methods: We searched seven databases up to July 2020 for randomized controlled trials investigating the effectiveness of telemedicine in the delivery of diabetes care in low- and middle-income countries. We extracted data on the study characteristics, primary end-points and effect sizes of outcomes. Using random effects analyses, we ran a series of meta-analyses for both biochemical outcomes and related patient properties.

    Findings: We included 31 interventions in our meta-analysis. We observed significant standardized mean differences of -0.38 for glycated haemoglobin (95% confidence interval, CI: -0.52 to -0.23; I2 = 86.70%), -0.20 for fasting blood sugar (95% CI: -0.32 to -0.08; I2 = 64.28%), 0.81 for adherence to treatment (95% CI: 0.19 to 1.42; I2 = 93.75%), 0.55 for diabetes knowledge (95% CI: -0.10 to 1.20; I2 = 92.65%) and 1.68 for self-efficacy (95% CI: 1.06 to 2.30; I2 = 97.15%). We observed no significant treatment effects for other outcomes, with standardized mean differences of -0.04 for body mass index (95% CI: -0.13 to 0.05; I2 = 35.94%), -0.06 for total cholesterol (95% CI: -0.16 to 0.04; I2 = 59.93%) and -0.02 for triglycerides (95% CI: -0.12 to 0.09; I2 = 0%). Interventions via telephone and short message service yielded the highest treatment effects compared with services based on telemetry and smartphone applications.

    Conclusion: Although we determined that telemedicine is effective in improving several diabetes-related outcomes, the certainty of evidence was very low due to substantial heterogeneity and risk of bias.

  16. Taxonomic significance of cypsela morphology in tribe Cichoreae (Asteraceae) using light microscopy and scanning electron microscopy
    Ayaz S, Ahmad M, Zafar M, Ali MI, Sultana S, Mustafa MRU, et al.
    Microsc Res Tech, 2020 Mar;83(3):239-248.
    PMID: 31713962 DOI: 10.1002/jemt.23407
    The current study deals with the detailed morphology investigation of eight Cypsela species belonging to tribe Cichoreae. The different Cypsela types were described, explained, compared, and their taxonomic significance is discussed in detail. Light microscopy (LM) and scanning electron microscopy (SEM) have been used to highlight quantitative and qualitative characters of underestudied species. Cypsela exhibit great diversity in macro and micromorphological features such as shape, color, length, width, anticlinal and periclinal wall patterns, surface patterns, epicuticular projections. Majority of Cypsela species were brownish in color and their size ranges from 2.16 to 3.98 mm in length and 1.16 to 0.82 mm in breadth. A great diversity in Cypsela shapes like oblanceolate to obovate, obovoid to cylindrical, obvate, narrowly lanceolate were observed. Most of the platelets having epicuticular projections were observed. The surface pattern on the cypsela surface varied from rugose papillate, verrucose papillate, and striated. On the basis of considerable variations observed, the present study can assist as useful constraints at various taxonomic levels. The aim of the present study is to provide a comprehensive description of the Cypsela morphology and to determine the extent to which these micro morphological data can be used as a taxonomic character to delineate various taxa belonging to the tribe Cichoreae.
  17. Synthesis, spectral analysis and biological evaluation of 2-{[(morpholin-4-yl)ethyl]thio}-5-phenyl/aryl-1,3,4-oxadiazole derivatives
    Ur-Rehman A, Khan SG, Naqvi SAR, Ahmad M, Akhtar N, Bokhari TH, et al.
    Pak J Pharm Sci, 2021 Jan;34(1(Special)):441-446.
    PMID: 34275792
    A series of new derivatives of 4-(2-chloroethyl)morpholine hydrochloride (5) were efficiently synthesized. Briefly, different aromatic organic acids (1a-f) were refluxed to acquire respective esters (2a-f) using conc. H2SO4 as catalyst. The esters were subjected to nucleophillic substitution by monohydrated hydrazine to acquire hydrazides (3a-f). The hydrazides were cyclized with CS2 in the presence of KOH to yield corresponding oxadiazoles (4a-f). Finally, the derivatives, 6a-f, were prepared by reacting oxadiazoles (4a-f) with 5 using NaH as activator. Structures of all the derivatives were elucidated through 1D-NMR EI-MS and IR spectral data. All these molecules were subjected to antibacterial and hemolytic activities and showed good antibacterial and hemolytic potential relative to the reference standards.
  18. Synthesis, monoamine oxidase inhibition activity and molecular docking studies of novel 4-hydroxy-N'-[benzylidene or 1-phenylethylidene]-2-H/methyl/benzyl-1,2-benzothiazine-3-carbohydrazide 1,1-dioxides
    Saddique FA, Zaib S, Jalil S, Aslam S, Ahmad M, Sultan S, et al.
    Eur J Med Chem, 2018 Jan 01;143:1373-1386.
    PMID: 29126721 DOI: 10.1016/j.ejmech.2017.10.036
    Three series of 4-hydroxy-N'-[benzylidene/1-phenylethylidene]-2-H/methyl/benzyl-1,2-benzothiazine-3-carbohydrazide 1,1-dioxides (9-11)a-l were synthesized and unraveled to be highly potent dual inhibitors of monoamine oxidases (MAO-A and MAO-B). All the examined compounds demonstrated IC50 values in lower micro-molar range for both MAO-A as well as MAO-B. The most active MAO-A inhibitor was 4-hydroxy-N'-(1-phenylethylidene)-2H-benzo[e][1,2]thiazine-3-carbohydrazide 1,1-dioxide (9i) with an IC50 value of 0.11 ± 0.005 μM, whereas, methyl 4-hydroxy-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide (3) was the most active MAO-B inhibitor with an IC50 value of 0.21 ± 0.01 μM. Enzyme kinetics studies revealed that the most potent compounds inhibited both MAO enzymes (A & B) in a competitive fashion. Molecular docking studies were also performed to obtain an intuitive picture of inhibition potential for potent inhibitors. The high potency of these compounds is optimally combined with highly favorable ADME profile with predicted good oral bioavailability.
  19. Synthesis, molecular docking and anti-diabetic studies of novel benzimidazole-pyrazoline hybrid molecules
    Ibraheem F, Ahmad M, Ashfaq UA, Aslam S, Khan ZA, Sultan S
    Pak J Pharm Sci, 2020 Mar;33(2(Supplementary)):847-854.
    PMID: 32863261
    Pyrazoline and benzimidazoles derivatives have been widely studied due to their potential applications in the medicinal field. In this research project, we have hybridized these two heterocyclic systems in the same molecule. A new series of compounds, 2-((3,5-diaryl-4,5-dihydro-1H-pyrazol-1-yl)methyl)-1H-benzo[d]imidazole (5a-i) were synthesized through a multistep reaction. In the first step, chalcones 3a-i were prepared by coupling of various acetophenones and benzaldehydes under alkaline conditions. These chalcones were cyclized with hydrazine hydrate to form a series of pyrazolines which were finally coupled with 2-chloromethyl-1H-benzimidazole to get a new series of titled hybrid molecules. The structures of these compounds were elucidated by spectral (1H NMR and 13C NMR) analysis. The anti-diabetic potential of these compounds was studied by screening them for their α-glucosidase inhibition activity. The SAR was established through molecular docking analysis. Compound 5d appeared as effective inhibitor with IC50 = 50.06μM as compared to reference drug (acarbose) having IC50 = 58.8μM.
  20. Synthesis, characterization, monoamine oxidase inhibition, molecular docking and dynamic simulations of novel 2,1-benzothiazine-2,2-dioxide derivatives
    Ahmad S, Zaib S, Jalil S, Shafiq M, Ahmad M, Sultan S, et al.
    Bioorg Chem, 2018 10;80:498-510.
    PMID: 29996111 DOI: 10.1016/j.bioorg.2018.04.012
    In this research work, we report the synthesis and biological evaluation of two new series of 1-benzyl-4-(benzylidenehydrazono)-3,4-dihydro-1H-benzo[c] [1,2]thiazine 2,2-dioxides and 1-benzyl-4-((1-phenylethylidene)hydrazono)-3,4-dihydro-1H-benzo[c][1,2]thiazine 2,2-dioxides. The synthetic plan involves the mesylation of methyl anthranilate with subsequent N-benzylation of the product. The methyl 2-(N-benzylmethylsulfonamido)benzoate was subjected to cyclization reaction in the presence of sodium hydride to obtain 1-benzyl-1H-benzo[c][1,2]thiazin-4(3H)-one 2,2-dioxide which was treated with hydrazine hydrate to get corresponding hydrazone precursor. Finally, the titled compounds were obtained by reaction of hydrazone with various substituted aldehydes and ketones. The synthesized derivatives were subjected to carry out their inhibition activities against monoamine oxidases along with modelling investigations to evaluate their binding interactions and dynamic stability during the docking studies. The inhibition profile of potent compounds was found as competitive for both the isozymes. The compounds were more selective inhibitors of MAO-A as compared to MAO-B. Moreover, drug likeness profile of the derivatives was evaluated to have an additional insight into the physicochemical properties. The molecular dynamic simulations predicted the behaviour of amino acids with the active site residues.
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