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Allegory and Power in Contemporary Turkish Cinema
No full textBu çalışma, alegori, iktidar ve sinema arasındaki köklü ilişkiye dair teorik bir çerçeve kurmakta ve bu çerçeve ile iki çağdaş Türkiye filmini ampirik bir analiz yaparak incelemektedir. Alegori, çift katmanlı bir anlatım tekniği olarak tanımlanmakta ve hem bir denetim mekanizması hem de egemen ideolojilere yönelik bir eleştiri yöntemi olarak ele alınmaktadır. Fletcher, Frye ve Honig gibi temel teorisyenlerin yaklaşımlarından yola çıkan bu araştırma alegoriyi metafor ve simgeden ayırmakta ve izleyicileri ahlaki ve entelektüel düşünceye itmedeki eşsiz yeteneğini vurgulamaktadır. Çalışma, görsel ve işitsel potansiyeli sayesinde çok katmanlı hikâye anlatımına özellikle uygun bir araç olan sinemada, alegorinin uygulanışını araştırmaktadır. Ampirik bölümde, Kurak Günler (2022) ve Okul Tıraşı (2021) filmleri modern iktidar alegorileri olarak analiz edilmektedir. Bu filmler, kapalı mekânlar ve sembolik imgeler aracılığıyla sistematik yolsuzluğu, kurumsal ihmali ve hiyerarşik yapıları eleştirmektedir. Detaylı sahne analizlerini içeren bu çalışma, film unsurlarını (görüntü, ses, anlatı ve fikir gibi) daha geniş sosyo-politik bağlamlara bağlamak için Foucault, Bourdieu ve Arendt gibi isimlerin teorik perspektiflerinden yararlanmaktadır. Örneğin, Kurak Günler (2022) küçük bir kasabada yaşanan yolsuzluk ve ekolojik felaketi resmederken, Okul Tıraşı (2021) uzak bir yatılı okulun yalnızlaştırıcı bürokrasisini irdelemektedir. Bu araştırma, alegorinin sinemadaki rolünü, anlatı karmaşıklığı ve sembolik derinliğin dinamik bir etkileşimi olarak vurgulamaktadır. Filmlerin, toplumsal iktidar yapılarının eleştirisini nasıl gerçekleştirdiğini ve izleyiciyi yorumlama sürecine nasıl dahil ettiğini göstermektedir. Çağdaş Türk sinemasına odaklanarak, alegorinin hem bir direniş yöntemi hem de ideolojinin bir yansıması olarak küresel önemini gözler önüne sermektedir. Sonuç olarak, alegorinin iktidar dinamiklerini açığa çıkarma ve eleştirme kapasitesini yeniden teyit ederek film çalışmaları, politik teori ve kültürel analiz alanlarına katkıda bulunmaktadır.This study examines the enduring relationship between allegory, power, and cinema by establishing a theoretical framework and conducting an empirical analysis of two contemporary Turkish films. Allegory, defined as a dual-layered narrative technique, serves as both a tool of control and a method for critiquing dominant ideologies. Drawing on foundational theories by Fletcher, Frye, and Honing, this research differentiates allegory from metaphor and symbolism and emphasizes its unique ability to engage audiences in moral and intellectual reflection. The study explores allegory's adaptability in cinema which is a medium particularly suited for layered storytelling due to its visual and auditory potential. The empirical section analyzes Burning Days (2022) and Brother's Keeper (2021) as modern allegories of power. These films critique systemic corruption, institutional neglect, and hierarchical structures through enclosed spaces and symbolic imagery. Utilizing detailed scene analyses, the study employs theoretical perspectives from names like Foucault, Bourdieu, and Arendt to connect filmic elements such as image, sound, narrative, and idea to broader socio-political contexts. For instance, Burning Days portrays a small town rife with corruption and ecological disaster, while Brother's Keeper (2021) delves into the isolating bureaucracy of a remote boarding school. This research underscores allegory's role in cinema as a dynamic interplay of narrative complexity and symbolic resonance. It demonstrates how films critique societal power structures while engaging viewers in interpretive acts. By focusing on contemporary Turkish cinema, the study highlights the global relevance of allegory as both a mode of resistance and a reflection of ideology. Ultimately, it reaffirms allegory's capacity to reveal and critique power dynamics and contributes to the fields of film studies, political theory, and cultural analysis
An Assessment of the Current State of Turkish Law in Light of the Reforms Introduced by Directive 2024/2853 on Product Liability
No full textThis study examines the significant reforms introduced by the European Union's New Product Liability Directive (2024/2853) and evaluates the current status of Turkish product liability law in light of these changes. The former Directive 85/374, in force for nearly 40 years, had become outdated due to rapid technological advancements and digitalization. The new Directive responds to these developments by explicitly including software and artificial intelligence within the definition of "product," introducing presumptions that ease the burden of proof for injured parties, expanding liability to cover not only manufacturers but also broader economic operators, and redefining the moment of liability to include, under certain circumstances, the lifecycle of the product-not just its release date. In this way, it is intended to make it easier for those injured to access broader protection in a more convenient way. In Turkish law, although Law No. 7223 on Product Safety and Technical Regulations, enacted in 2020, officially introduced strict liability for producers, it diverges significantly from the new Directive in key areas. The definition of product excludes intangible digital products like software, no presumptions are provided in favor of injured parties, and the concept of "nonconformity" is framed narrowly around technical regulatory compliance rather than user safety expectations. The article concludes that Turkey's product liability regime, although relatively recent, is already outdated in the face of modern challenges and EU standards. For meaningful alignment and effective user protection in the digital age, the Turkish framework must be revised to better reflect the core objectives and modern scope of the new EU Directive
Safeguarding RSMA Networks with Cooperative Jamming and Relaying
No full textCooperative rate-splitting multiple access (C-RSMA) has emerged as a promising solution for increasing spectral efficiency over conventional RSMA. On the other hand, the presence of eavesdroppers seriously compromises secure communications due to the open nature of the wireless channel. In this paper, we study a physical-layer security (PLS) problem for a two-user C-RSMA system in the presence of an eavesdropper. The cooperative jamming and relaying scheme is proposed to enhance diversity and security, where the near user opportunistically generates an artificial noise (AN) and forwards its decoded common message in two transmission phases. Our goal is to maximize the minimum secrecy rate (SR) for both users by the joint design of beamforming and resource allocation. To address the challenges arising from the non-convexity of the problem, we propose a sequential parametric convex approximation (SPCA)-based iterative algorithm, which entails approximating the non-convex objective and constraints by utilizing sequences of convex functions. Moreover, we study two SR maximization problems involving two different partial channel state information cases, and then resolve them by applying two novel SPCA-based iterative algorithms. Simulation results verify the effectiveness of the proposed scheme, demonstrating a significant improvement in SR compared to the schemes without jamming or relaying transmission. © 1967-2012 IEEE
Sparse Deconvolution of Spatial Transcriptomics Data Using ScRNA-seq Subclusters to Unravel Spatial Heterogeneity of Cell Types
No full textHücrelerin doğal ortamlarındaki uzamsal organizasyonu, mimarilerini, karşılıklı etkileşimlerini ve işlevlerini anlamak açısından çok önemlidir ve bu da Uzamsal Transkriptomik (ST) yönteminin ortaya koymayı hedeflediği bir konudur. Ancak günümüz teknolojisi, tüm genom kapsayıcılığına sahip tek hücre çözünürlüğünde uzamsal organizasyonun belirlenmesinde yetersiz kalmaktadır. Bu hedef, kısmen tek hücreli RNA dizileme (scRNA-seq) yöntemiyle sağlansa da, bu süreçte uzamsal bilgi kaybı yaşanmaktadır. Bu nedenle, hem uzamsal hem de yüksek çözünürlüklü hücresel verilerin elde edilebilmesi için ST ve scRNA-seq veri kümeleri birlikte kullanılarak çözümlenme (dekonvolüsyon) işlemi gibi hesaplamalı yöntemlerden yararlanılmaktadır. scRNA-seq aracılığıyla ST'nin çözümlenmesi umut vadetse de, hala aşılması gereken bazı engeller bulunmaktadır. Parti (batch) arası etkiler teknik varyansa yol açarken, dikkate alınması gereken biyolojik varyanslar da mevcuttur. Çoğu dekonvolüsyon yöntemi, hedef verideki tüm referans hücre türlerini tahmin etmeye çalışırken, hücresel heterojenite gibi biyolojik ayrıntıları ve nadir ya da geçiş halindeki alt popülasyonları göz ardı ederek, gerçek hücre türü lokalizasyonlarının tahmin gücünü sınırlandırmaktadır. Bu zorlukları aşmak için, hücre türü alt kümelendirmesini içeren Uzamsal Transkriptomik çözümlenmesini geliştiren WISpR-DeFine (İyi Çözünürlüklü Dekonvolüsyon için Ağırlıklı Seyrek Regresyon) adlı yeni teknik geliştirdik. WISpR-DeFine, anlık tek hücre referans verilerinde mevcut olan hücre tipi heterojenliğini hesaba katarak daha hassas ve ayrıntılı dekonvolüsyona olanak tanır. Toplam 4 veri setinde (2 hasta, 1 sağlıklı ve SeqFISH+) karşılaştırmalı olarak incelendiğinde, WISpR'ye kıyasla tahmin üstünlüğü göstermiştir. Ayrıca, yaygın olarak kullanılan toplu etki düzeltme araçlarını karşılaştırarak toplu etki zorluğunu ele aldık ve LIGER'i en doğru model olarak belirledik.The spatial organization of cells in their native environment is crucial to understand their architectures, cross-talks and functionalities, what spatial transcriptomics (ST) aims to reveal. However, today's technology lacks the identification of whole genome coverage single-cell resolution spatial organization. Whereas this goal is partially achieved by single-cell RNA sequencing (scRNA-seq), with the cost of spatial information loss. Therefore, to obtain both spatial and high-resolution cellular data, deconvolution is used as one of the computational processes using ST and scRNA-Seq datasets as inputs. Deconvoluting ST through scRNA-seq holds promise, but there are still a number of obstacles to overcome. Batch effects results in technical variance, together with the biological variances that are needed to be focused. Most deconvolution methods attempt to predict all reference cell types across the target data, often overlooking biological nuances such as cellular heterogeneity and rare or transitional subpopulations, limiting the prediction strengths of the true cell-type localizations. To overcome these challenges, we developed a new technique named WISpR-DeFine (Weight Induced Sparse Regression for Deconvolution in Fine-Resolution), which is an extension of the original WISpR framework that enhances ST deconvolution by incorporating cell-type subclustering. WISpR-DeFine allows for more precise and nuanced deconvolution by accounting for cell-type heterogeneity present in snapshot single-cell reference data. Benchmarked in total 4 datasets (2 diseased ,1 healthy and SeqFISH+), it showed its prediction superiority compared to WISpR. Moreover, we addressed the batch effect challenge by benchmarking the widely used batch-effect correction tools and identified LIGER as the best accurate model
Narrative Development in L1-Turkish Children: A Longitudinal Examination of L2-English Immersion Effects
No full textThis longitudinal study examined the impact of L2 acquisition on the narrative development of L1-Turkish dominant children who were exposed to L2-English immersion compared to their peers who were not exposed to L2-English immersion but to L1-Turkish. The study involved 155 children, aged 5, 7, and 9 at Time 1, assessing their narrative production, linguistic complexity, and narrative comprehension over a one-year period. Children who were exposed to L2-English immersion received intensive L2-English instruction from a young age while living in an L1-Turkish dominant society. For both time points, L2-English immersion children performed better than L1-Turkish dominant children for L1 narrative production. While no overall group differences emerged in linguistic complexity, L2-English immersion children exhibited higher complexity in L1 relative to their L2 for both time points, suggesting a facilitative effect of early L2 exposure on L1 narrative structure. These findings support the idea that bilingualism may foster narrative skills. These results highlight the importance of early bilingual education, especially when both languages are equally supported, contributing to children's overall language development.Scientific and Technological Research Council of Turkey (TUBITAK) [219K247]We thank Busra Sena Ozcan, Songuel Kandemir, Pinar Karatas;, and Aysenur Yilmaz for data collection and coding. We also thank Ece Yilmaz and Kardelen Koc for data transcription and coding. This study was supported by The Scientific and Technological Research Council of Turkey (TUBITAK), with project number 219K247 granted to Aslı; Aktan-Erciyes
In-Silico Analysis of Astrocytic GABA Transporter GAT3 Stability and Dynamics Related to C-Terminal Truncation
No full textEsas olarak astrositlerde ifade edilen GABA taşıyıcısı 3 (GAT3) GABAerjik sistemin bir parçasıdır ve hücre dışı γ-aminobütirik asit (GABA) seviyelerini düzenleyerek merkezi sinir sisteminde inhibe edici/uyarıcı dengenin korunmasına katkıda bulunur. GAT3 bozuklukları ile çeşitli nöropsikiyatrik ve nörodejeneratif bozukluklar arasında karmaşık bir ilişki olduğu düşünülmektedir. Örneğin, Alzheimer hastalığına odaklanan çalışmalarda GAT3'ün rolü konusunda çelişkili sonuçlar mevcuttur. Bazı çalışmalarda hastalık durumunda GAT3 ifadesinde artış gözlenirken, bazılarında gen ifadesinde düşüş gösterilmiştir. Fizyolojik ve patolojik önemine rağmen, GAT3'ün protein yapısı ve işlevi henüz tam olarak karakterize edilmemiştir. Bu tez, GAT3'ün C-terminal bölgesinin yapısal stabiliteyi koruma, konformasyonel geçişleri düzenleme ve substrat bağlama etkileşimlerini etkilemedeki rolünü araştırırken, Alzheimer gibi hastalıklar için terapötik uygulamalara potansiyel etkileri olabilecek GAT3'ün yapısı hakkında daha fazla bilgi elde etmeyi amaçlamaktadır. Homoloji modellemesi kullanılarak, C-terminal (+C) ve C-terminal çıkarılmış (-C) varyantları ile hem içe açık (iGAT3) hem de dışa açık (oGAT3) konformasyonlarda protein yapıları oluşturulmuştur. Biyolojik koşullara benzerlik sağlamak için nano ölçekli moleküler dinamik (NAMD) kullanılarak 1000 nanosaniye boyunca moleküler dinamik simülasyonları gerçekleştirilmiştir. Bulgular, C-terminalinin GAT3'ün genel stabilitesine olası katkısını ve protein ve bağlanma bölgesi içindeki dinamik çapraz korelasyonları etkilediğini göstermektedir.GABA transporter 3 (GAT3) is a part of the GABAergic system, primarily expressed in astrocytes, and it contributes to maintaining the balance of excitation in the central nervous system (CNS) through regulating extracellular γ-aminobutyric acid (GABA) levels. A complex connection between the dysregulation of GAT3 and various neuropsychiatric and neurodegenerative disorders was suggested. For example, studies focusing on AD are conflicted on the influence of GAT3, as some suggest its upregulation and others its downregulation. Despite its physiological and pathological relevance, a complete characterization of GAT3 structure and function remains incomplete. This thesis explores the role of GAT3's C-terminal domain in maintaining structural stability, modulating conformational transitions, and affecting substrate-binding interactions. It aims to expand our knowledge of GAT3 structure, which can have potential implications for therapeutic applications for diseases such as AD. Using homology modeling, both inward-open (iGAT3) and outward-open (oGAT3) conformations were generated with the C-terminal (+C) and truncated (-C) variants. Molecular dynamics simulations were conducted for 1000 nanoseconds using Nanoscale Molecular Dynamics (NAMD) to mimic biological conditions. The findings demonstrate the possible contribution of the C-terminal to GAT3's global stability, influencing dynamic cross-correlations within the protein and its binding site
Optimization of the First-Mile Pickup Problem: A Real-Life Case Study
No full textAVESTIA; INTERNATIONAL ASET; JBEB - Journal of Biomedical Engineering and Biosciences; JMIDS - Journal of Machine Intelligence and Data Science; UNB - UNIVERSITY OF NEW BRUNSWICK; WHERE 2 SUBMITThis study presents an optimization model for a logistics company to solve the first-mile pick-up problem. The first-mile pick-up stage is a vital element in the entire supply chain process, as inefficiencies in this phase can lead to significant delays and increased costs throughout the entire delivery network. The first-mile pick-up problem is the problem of collecting parcels from supplier companies to the target points with minimum cost. Determining optimal routes for parcel pickup vehicles is critical to minimize operational costs while meeting all constraints. Efficient routing ensures that resources such as fuel, driver hours, and vehicle capacity are effectively managed, preventing unnecessary delays and additional expenses. In the first-mile pick-up problem, there are constraints such as determining the order of visits to companies, satisfying time windows, having fixed source-target points for routes, not exceeding vehicle capacities, observing maximum distance limits, and visiting each customer point only once. Effectively addressing these constraints is essential to ensure that the model delivers practical and actionable solutions for real-world scenarios. While similar optimization models exist in the literature, none completely matches all aspects of our problem. This limitation highlights the need for a model that comprehensively addresses the unique challenges presented in first-mile logistics. Existing approaches like the Open Vehicle Routing Problem with Time Windows (OVRPTW) [1], Close-Open Vehicle Routing Problem with Time Windows (COVRPTW) [2], MultiDepot Open Vehicle Routing Problem with Time Windows (MDOVRPTW) [3,4,5,6], and Multi-Depot Multiple Terminal Hamiltonian Path Problem (MDMTHPP) [7,8] each address different subsets of these constraints. Among these, MDOVRPTW emerges as the closest candidate to our problem requirements, however, this model does not include routing for fixed source-target points and maximum distance constraints. The first-mile pick-up problem is named as the multi-depot open vehicle routing problem with time windows and fixed target points (MDOVRPTW ft) and a mathematical model of the problem is created. The mathematical model of the problem was coded in IBM ILOG CPLEX Optimization Studio and applied to a real-life example. As a real-life example, the location of supplier companies and vehicles connected to a branch depot of a logistics company are considered. A distance matrix was created using the latitude-longitude information of the supplier companies in Open Route Service. This method ensures accurate distance calculations, which are crucial for generating optimal routes that align with real-world conditions. The observed total distance cost according to preferences of the vehicle drivers and the optimal total distance costs obtained from the model are calculated for three consecutive days. By comparing these results, the model's effectiveness in minimizing costs while ensuring practical feasibility is demonstrated. It is concluded that there is an average 49% improvement in the total distance cost for these three days. © 2025, Avestia Publishing. All rights reserved
Acoustic Assessment of Shared Office Spaces: A Case Based Study
No full textPolytec GmbHThis study investigates the acoustic conditions in shared flex-desk office spaces, where user requirements differ from those in traditional permanent open-plan offices. Unlike conventional office environments, shared workspaces accommodate a diverse and dynamic user base, necessitating greater flexibility in acoustic and spatial design. To assess the acoustic environment and user preferences, both subjective and objective data were collected. Subjective data was obtained through questionnaire, capturing occupants’ perceptions of noise levels, and overall comfort. Objective measurements were conducted to show activity noise levels during a typical workday. The data collected was then compared with assessment parameters defined in standard ISO 22955:2021, to identify discrepancies in user needs and expectations. The findings indicate that shared desk open-plan offices exhibit higher ambient noise levels than traditional open-plan offices, with intelligible speech being the most dominant source of disturbance. While perceived noise levels strongly correlated with disturbance, noise disturbance was not significantly linked to work load related factors, suggesting user adaptation or task-specific resilience. These results highlight the need to reassess conventional acoustic standards, such as ISO 22955:2021, to better accommodate the unique dynamics of shared workspaces. Specifically, shared workspace users show greater flexibility in noise levels and demands in spatial configurations, promoting the networking and transition of knowledge and collaborative nature of these environments. This study underscores the limitations of applying traditional office acoustic standards to shared environments and suggests the necessity for revised criteria that better reflect the unique demands of these spaces. © Copyright 2012 - 2025 IIAV - All Rights Reserved
Migrant Bodies in the Land/City of 2000s Turkish Cinema
No full textIn this essay, I explore the land-, sea-, and cityscapes in six films (five Turkish and one Turkish German)—Bliss, The Wound, Rıza, Broken Mus-sels, The Guest, and Seaburners—and their use of place and non-place. Hamid Naficy’s concept of transitional space and Marc Augé’s notion of non-place, based on Foucault’s concept of heterotopia, will be the basis of the theoretical discussion. I focus on what I see as a major shift in the representation of the migrant experience in the Turkish cinema of the early and late 2000s, a shift from the land- and cityscapes to films whose setting is the seascape. This shift, I argue, corresponds to changes in the phases of migration that flow within and through Turkey, and both government policies and the public perception. © 2022 The authors/Taylor & Francis Group
Detection of Allosteric Sites for Designing Species-Specific Allosteric Inhibitors in Hexokinase and Increasing the Potency of Inhibition for ST2 Receptor
No full textMilyonlarca insanı enfekte eden antimalaryal dirençli parazitlerin neden olduğu hastalıkları tedavi etmek için türlere özgü ilaçların geliştirilmesi literatürde vurgu bulmuştur. Glikolitik yol, hücrenin en temel enerji kaynağı olduğundan, bu yoldaki enzimler potansiyel ilaç hedefleri haline gelmiştir. Ancak, önerilen ilaç adayları insan türünde aynı enzimleri inhibe etmemelidir. Buna göre, allosterik inhibitörler, enfekte eden türe ait enzimlerdeki evrimsel olarak en az korunan alanları hedefledikleri için alternatif hale gelirler. Tezin ilk proteini, Plasmodium vivax heksokinazındaki alternatif potansiyel ve spesifik allosterik bölgelerin tanımlanması ve analiziydi. Bu tezde araştırılan ikinci sistem, enfeksiyon, inflamasyon ve alerji sırasında tip 2 bağışıklık tepkilerinde önemli bir sitokin olan İnterlökin-33'e (IL-33) odaklanmıştır. Amaç, IL-33 ile etkileşimini engellemek ve böylece bağışıklık aktivasyonunu düzenlemek için reseptörü ST2'yi inhibe etmekti. Hesaplamalı yaklaşımımızın ilk adımında, enzimin yüzeyindeki potansiyel bağlanma yerlerini belirlemek için bir dizi etkili araç kullanıldı. Heksokinaz için çeşitli bağlanma yerleri tanındı, bunlardan bazıları alt birimlerin arayüzünde, bazıları ise merkezde yer alıyordu ve bu da onları allosterik düzenleme için kritik sıcak noktalar haline getiriyordu. ST2 için, birden fazla allosterik potansiyel bağlanma yeri bulundu ve bu da inhibisyon potansiyelini artırdı. İkinci aşamada, her bağlanma yerinin allosterik potansiyeli, CorrSite, Ohm, AlloSigma ve ESSA gibi elastik ağ modellemesine dayalı çeşitli hesaplamalı araçlar ve makine öğrenme algoritması PASSER ile değerlendirildi. Heksokinaz için, parazit ve insan arasındaki dizi hizalaması, her potansiyel allosterik yerin özgüllüğünü doğrulamak için benzerlik derecesini belirlemek amacıyla kullanıldı. Son adımda, 1615 FDA onaylı bileşiğin yüksek allosterik potansiyele ve yüksek özgüllük derecesine sahip yerlere yerleştirilmesi, heksokinaz ve ST2 reseptörünün inhibisyonunda etkili olabilecek bazı kritik bileşiklerin elde edilmesini sağladı. Yakın gelecekte bu bileşiklerin deneysel doğrulaması, hesaplamalı yaklaşımımızı desteklemek amacıyla gerçekleştirilecektir.The development of species-specific drugs to treat diseases caused by antimalarial-resistant parasites infecting millions of people has found emphasis in the literature. Since the glycolytic pathway is the cell's most essential energy source, enzymes in this pathway became potential drug targets. However, the proposed drug candidates should not inhibit the same enzymes in the human species. Accordingly, allosteric inhibitors become an alternative as they target the evolutionarily least conserved areas in the enzymes belonging to the infecting species. The first protein of the thesis was the identification and analysis of alternative potential and specific allosteric sites in Plasmodium vivax hexokinase. The second system investigated in this thesis focused on Interleukin-33 (IL-33) which is a key cytokine in type 2 immune responses during infection, inflammation, and allergy. The aim was to inhibit its receptor ST2 to block its interaction with IL-33 and thereby modulate immune activation. In the first step of our computational approach, effective tools were used to identify potential binding sites on the enzyme surface. For the second system, multiple allosteric binding sites on ST2 increased inhibition potential. In the second stage, the allosteric potential of each binding site was evaluated by diverse computational tools based on elastic network modeling, such as CorrSite, Ohm, AlloSigma, and ESSA, and the machine learning algorithm PASSER. For hexokinase, sequence alignment between the parasite and human was employed to determine the degree of similarity to confirm the specificity of each potential allosteric site. In the final step, docking 1615 FDA-approved compounds to sites with high allosteric potential and a high degree of specificity yielded some critical compounds that might be effective in the inhibition of hexokinase and ST2 receptor. Near-future experimental validation of these compounds will be performed to support our computational approach