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    Design, Computational Evaluation and Route of Synthesis Validation of New JAK2 inhibitors to Treat Inflammatory Diseases
    (2025-01-01)
    Pornsupawat, Jarukorn
    ;
    Paul Gleeson, M.
    In this research we report the design of new JAK2 inhibitors using structure-based and ligand-based design approaches. Novel JAK2 inhibitors were designed containing biostatic modifications developed from related scaffolds. The JAK2 binding characteristics were studied using molecular docking and an assessment of their overall drug likeness was made though the prediction of key physical properties. Validation of routes of synthesis have been undertaken to assess the feasibility of preparing the compounds. Our results suggest that the new molecules have desirable physical properties and are highly likely to be inhibitors of JAK2 kinase. In addition, we have validated the synthetic conditions and intermediates needed for their preparation by preparing 4 key exemplars.
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    Comparison of feline and human immunodeficiency virus reverse transcriptase enzymes through chemical screening and computational analysis
    (2024-05-01)
    Thammajong, Phanicha
    ;
    Aiebchun, Thitinan
    ;
    Boonyarattanakalin, Kanokthip
    ;
    Gleeson, Duangkamol
    ;
    Pobsuk, Nattakarn
    Feline immunodeficiency virus (FIV) is a common infection found in domesticated and wild cats worldwide. Despite the wealth of therapeutic understanding of the disease in humans, considerably less information exists regarding the treatment of the disease in felines. Current treatment relies on drugs developed for the related human immunodeficiency virus (HIV) and includes compounds of the popular non-nucleotide reverse transcriptase (NNRTI) class. This is despite FIV-RT being only 67% similar to HIV-1 RT at the enzyme level, increasing to 88% for the allosteric pocket targeted by NNRTIs. The goal of this project was to try to quantify how well the more extensive pharmacological knowledge available for human disease translates to felines. To this end we screened known NNRTIs and 10 diverse pyrimidine analogs identified virtually. We use this chemo-centric probe approach to (a) assess the similarity between the two related RT targets based on the observed experimental inhibition values, (b) try to identify more potent inhibitors at FIV, and (c) gain a better appreciation of the structure–activity relationships (SAR). We found the correlation between IC<inf>50</inf>s at the two targets to be strong (r<sup>2</sup> = 0.87) and identified compound 1 as the most potent inhibitor of FIV with IC<inf>50</inf> of 0.030 μM ± 0.009. This compared to FIV IC<inf>50</inf> values of 0.22 ± 0.17 μM, 0.040 ± 0.010 μM and >160 μM for known anti HIV-1 RT drugs Efavirenz, Rilpivirine, and Nevirapine, respectively. This knowledge, along with an understanding of the structural origin that give rise to any differences could improve the way HIV drugs are repurposed for FIV.
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    Synthesis and Confirmatory Factor Analysis of Components of Functional Competencies of Heads of Departments
    (2022-04-01)
    Aebsapap, Teerasak
    ;
    Sisan, Boonchan
    ;
    Tungkunanan, Pariyaporn
    This research project has the objective of synthesizing and doing confirmatory factor analysis of components of functional competencies of Heads of Departments of secondary schools under the Office of the Basic Education Commission in Thailand. The technique of the content analysis consists of 3 steps, namely, document synthesis, making inquiries on opinions and carrying out confirmatory factor analysis. The population is the head of the learning group at the secondary school level. The sample group was the head of the learning group at the secondary school level. under the Office of the Basic Education Commission, 500 people. The findings from the research are as follows. There are 7 components, namely, 1) Professionalism Development 2) Curriculum, Measurement and Evaluation of Learning 3) Educational Innovation and Information Technology 4) Intellectual Leadership 5) Quality Management 6) Learning Organization and 7) Professional Ethic. In addition, it is also found out that the development of Heads of Departments needs the clear identification of desirable characteristics in order to develop tools, direction or model that facilitate Heads of Departments to run activities for developing functional competencies of Heads of Departments to cover all dimensions, from personnel recruitment to development and retention. From an overview of secondary schools under the Office of the Basic Education Commission in Thailand, things that are important and necessary for the development of functional competencies of the Heads of Departments of secondary schools in Thailand are the components of the model, which are essential for the planning and development of the quality of Heads of Departments in the sustainable way.