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Integrating sequence and graph information for enhanced drug-target affinity prediction

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Science China(Information Sciences) 2024年第2期67卷 325-326页

作者： Haohuai HE Guanxing CHEN calvin Yu-Chian CHEN Artificial Intelligence Medical Research Center School of Intelligent Systems EngineeringShenzhen Campus of Sun Yat-sen University

Drug discovery is a pivotal discipline involving the identification and development of innovative pharmaceuticals designed to combat a wide array of illnesses. It plays a crucial role in advancing global health outcomes and improving the standard of living for individuals worldwide. However,drug discovery often relies on laborious in vitro experiments,

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Screening for metabolic dysfunction-associated fatty liver disease:Time to discard the emperor’s clothes of normal liver enzymes?

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World Journal of Gastroenterology 2024年第22期30卷 2839-2842页

作者： Chen-Xiao Huang Xiao-Dong Zhou calvin Q Pan Ming-Hua Zheng Metabolic Dysfunction-Associated Fatty Liver Disease Research Center Department of HepatologyThe First Affiliated Hospital of Wenzhou Medical UniversityWenzhou 325000Zhejiang ProvinceChina Department of Cardiovascular Medicine The Key Laboratory of Cardiovascular Diseases of WenzhouThe First Affiliated Hospital of Wenzhou Medical UniversityWenzhou 325000Zhejiang ProvinceChina Division of Gastroenterology and Hepatology Department of MedicineNew York University Langone HealthNew York University Grossman School of MedicineNew YorkNY 11355United States Institute of Hepatology Wenzhou Medical UniversityKey Laboratory of Diagnosis and Treatment for the Development of Chronic Liver Disease in Zhejiang ProvinceWenzhou 325000Zhejiang ProvinceChina

Metabolic dysfunction-associated fatty liver disease(MAFLD)is the most prevalent chronic liver condition *** liver enzyme-based screening methods have limitations that may missed diagnoses and treatment *** Chen et al,the risk of developing MAFLD remains elevated even when alanine aminotransferase levels fall within the normal ***,there is an urgent need for advanced diagnostic techniques and updated algorithms to enhance the accuracy of MAFLD diagnosis and enable early *** paper proposes two potential screening methods for identifying individuals who may be at risk of developing MAFLD:Lowering these thresholds and promoting the use of noninvasive liver fibrosis scores.

关键词： Metabolic dysfunction-associated fatty liver disease Non-alcoholic fatty liver disease Alanine aminotransferase Liver enzymes Screening Noninvasive liver fibrosis scores

The Impact of Privatization on Terminal Efficiency: A Case Study of Tema Port

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Journal of Transportation Technologies 2024年第3期14卷 358-371页

作者： Bernard Kwei Tetteh calvin Elorm Atsunyo Alex Boateng College of Transport and Communications Shanghai Maritime University Shanghai China Department of Transport Regional Maritime University Accra Ghana

Port and terminal efficiency are of utmost importance to the container shipping industry due to their significance in enhancing the competitive advantage of ports within a region. Consequently, there have always been notable variations of studies around it. This paper analyzes the impact of privatization on terminal efficiency using the Port of Tema as a Case Study. The main objective of this paper is to analyze the efficiency trends of the public and private terminals in the port over the years. To achieve this objective, DEA-CCR methodology was employed to calculate the annual technical efficiency trends of the private and public terminals using four input variables and three output variables. The main results of the paper indicated that the public and private terminals were efficient for multiple years. However, the efficiency scores over the years demonstrated inconsistency, exhibiting notable fluctuations. The findings of this study will aid policymakers across the region on policies relating to the efficiency and ownership structure of ports and terminals.

关键词： Privatization Terminal Efficiency DEA Tema Port

以专业使命为本的行业——专访中国香港会计师公会会长梁思杰

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新理财（公司理财） 2024年第4期 73-75页

作者： Jemelyn Yadao calvin Sit(图) 不详

中国香港会计师公会新任会长梁思杰听取过许多会员的不同观点,在担任会长后的首次访谈中,他讲述着如何让会计师创造价值以及他们所担任的各种不同的角色如何成为大众焦点。会计师在各行各业发挥着正面的影响力,但人们往往未必能即时察... 详细信息

中国香港会计师公会新任会长梁思杰听取过许多会员的不同观点,在担任会长后的首次访谈中,他讲述着如何让会计师创造价值以及他们所担任的各种不同的角色如何成为大众焦点。会计师在各行各业发挥着正面的影响力,但人们往往未必能即时察觉到会计师为社会作出的贡献。

关键词：香港会计师公会会计师会长影响力

Insight of Natural Compounds Halimane Diterpenoids against Mycobacterium tuberculosis: Virtual Screening, DFT, Drug-Likeness, and Molecular Dynamics Approach

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Computational Molecular Bioscience 2024年第2期14卷 35-58页

作者： Laurent Gael Eyia Andiga Boris Davy Bekono Désiré Mama Bikele Pie Pascal Onguéné Amoa Luc calvin Owono Owono Luc Léonard Mbaze Meva’a Department of Chemistry Faculty of Science University of Douala Douala Cameroon Department of Physics Ecole Normale Suprieure University of Yaound 1 Yaound Cameroon Center for Drug Discovery Faculty of Science University of Buea Buea Cameroon Department of Chemistry University of Yaound I Institute of Wood Technology Mbalmayo Cameroon CEPAMOQ Faculty of Science University of Douala Douala Cameroon

In the purpose to design novel antituberculosis (anti-TB) drugs agents against Mycobacterium tuberculosis (Mtb), we have built a molecular library around 42 Halimane Diterpenoids isolated from natural sources. Two Mtb enzymes drug targets (Mtb Mycothiol S-transferase and Mtb Homoserine transacetylase) have been adopted. The pharmacological potential was investigated through molecular docking, molecular dynamics simulation, density functional theory (gas phase and water) and ADMET analysis. Our results indicate that (2R,5R,6S)-1,2,3,4,5,6,7,8-octahydro-5-((E)-5-hydroxy-3-methylpent-3-enyl)-1,1,5,6-tetramethylnaphtha-lene-2-ol (compound 20) has displays higher docking score with each of the selected drug targets. In addition, this molecule exhibits a satisfactory drug potential activity and a good chemical reactivity. Its improved kinetic stability in the Mtb Mycothiol S-transferase enzyme reflects its suitability as a novel inhibitor of Mtb growth. This molecule has displayed a good absorption potential. Our results also show that its passive passage of the intestinal permeability barrier is more effective than that of first-line treatments (ethambutol, isoniazid). In the same way, this anti-TB druglikeness has shown to be able to cross the blood brain barrier.

关键词： Antituberculosis Druglikeness Density Functional Theory Halimane Diterpenoids Molecular Docking Molecular Dynamics Simulation

Design and mathematical analysis of activating transcriptional amplifiers that enable modular temporal control in synthetic juxtacrine circuits

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Synthetic and Systems Biotechnology 2023年第4期8卷 654-672页

作者： calvin Lam Department of Biochemistry and Molecular Biology University of Nebraska Medical CenterOmahaNE68198USA.

The ability to control mammalian cells such that they self-organize or enact therapeutic effects as desired has incredible *** only would it further our understanding of native processes such as development and the immune response,but it would also have powerful applications in medical fields such as regenerative medicine and *** control is typically obtained by synthetic circuits that use synthetic receptors,but control remains *** synthetic juxtacrine receptors(SJRs)are widely used as they are fully modular and enable spatial control,but they have limited gene expression amplification and temporal *** these are integral facets to cell control,I therefore designed transcription factor based amplifiers that amplify gene expression and enable unidirectional temporal control by prolonging duration of target gene *** a validated in silico framework for SJR signaling,I combined these amplifiers with SJRs and show that these SJR amplifier circuits can direct spatiotemporal patterning and improve the quality of self-organization.I then show that these circuits can improve chimeric antigen receptor(CAR)T cell tumor killing against various heterogenous antigen expression *** amplifiers are flexible tools that improve control over SJR based circuits with both basic and therapeutic applications.

关键词： Synthetic biology Synthetic development Synthetic immunotherapy synNotch SNIPR Amplifiers Self-organization Temporal control Spatiotemporal control CAR T cell Synthetic receptors

Mastering the craft:Creating an insightful and widely-cited literature review

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世界干细胞杂志:英文版(电子版) 2023年第8期15卷 781-786页

作者： Shengwen calvin Li Neuro-oncology and Stem Cell Research Laboratory Children’s Hospital of Orange CountyDepartment of NeurologyUniversity of California-Irvine School of MedicineOrangeCA 92868-3874United States

The art of constructing an insightful literature review manuscript has witnessed an exemplar in the work of Oz et al(2023),wherein concept progression harmoniously merges with figures and *** on retrospective data science,it is evident that well-cited articles can wield a transformative influence on the Journal Citation Reports Impact Factor score,as exemplified by Robert Weinberg’s landmark on cancer(Hanahan and Weinberg,2011).Here,we aim to spotlight a commendable contribution by Tuba Oz,Ajeet Kaushik,and Małgorzata Kujawska in this issue while pivoting towards identifying the hallmarks of a subpar literature review-elements that hinder rather than promote *** hurdles and roadblocks encountered within subpar literature reviews are *** of emerging trends,identification of challenges,and exploration of solutions remain conspicuously *** Contributions fail to surface amidst the vast sea of pre-existing literature,with noticeable gaps amplified by the lack of illustrative figures and *** manuscript,at times,assumes a skeletal form,reflecting an attempt to accommodate an excess of references,leading to convoluted sentences laden with *** contrast,a potent solution lies in adopting a comprehensive approach.A nuanced and critical evaluation of sources can culminate in a robust discussion,surpassing the mere summarization of conclusions drawn by *** approach,often dismissed,holds the potential to elevate clarity,coherence,and logical flow,ultimately inviting engaged readership and coveted *** critical necessity of integrating visionary insights is underscored and achieved through a rigorous analysis of pivotal concepts and innovative *** can be harnessed to elucidate the application of these *** advocate a paradigm shift,urging literature review writers to embrace the readers’perspective.A literature review’s purpose extends beyond providing a comprehensive panor

关键词： Literature review Concept progression Data science Journal Citation Reports Impact Factor Original contributions Comprehensive approach Clarity and coherence Visionary insights Reader engagement Concept development

A transmission dynamics model of COVID-19:Case of Cameroon

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Infectious Disease Modelling 2022年第2期7卷 211-249页

作者： calvin Tadmon Severin Foko Department of Mathematics and Computer Science Faculty of ScienceUniversity of DschangP.O.Box:67DschangCameroon The Abdus Salam International Centre for Theoretical Physics Strada Costiera 1134151TriesteItaly

In this work,we propose and investigate an ordinary differential equations model describing the spread of COVID-19 in *** model takes into account the asymptomatic,unreported symptomatic,quarantine,hospitalized individuals and the amount of virus in the environment,for evaluating their impact on the transmission of the *** establishing the basic properties of the model,we compute the control reproduction number Rc and show that the disease dies out whenever Rc1 and is endemic whenever Rc>***,an optimal control problem is derived and investigated theoretically by mainly relying on Pontryagin's maximum *** illustrate the theoretical analysis by presenting some graphical results.

关键词： COVID-19 ODE model Global stability Lyapunov function Optimal control

Urban growth dynamics and expansion forms in 11 Tanzanian cities from 1990 to 2020

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International Journal of Digital Earth 2023年第1期16卷 1985-2001页

作者： Neema Simon Sumari Fanan Ujoh calvin Samwel Swai Muchen Zheng Department of Informatics and Information TechnologyCollege of Natural and Applied Sciences(CoNAS)Sokoine University of AgricultureMorogoroTanzania Center for Sustainability and Resilient Infrastructure and Communities(SaRIC) London South Bank UniversityLondonUnited Kingdom Department of Water Resources and Environmental Management Faculty of GeoInformation Science and Earth Observation(ITC)University of TwenteEnschedeThe Netherlands School of Resource and Environmental Sciences Wuhan UniversityWuhanPeople’s Republic of China

With rapid urban expansion across Tanzania,there is a need to institute steps to address factors and forms as well as impacts and challenges associated with the observed *** study’s aim is to use spatial urban landscape indices to analyze the spatial changes in urban forms,patterns,and rates across 11 urban centers in Tanzania over a 30-year study period(1990–2020).During the past three decades,urban lands of 11 cities and town in Tanzania have grown by a total of 480 *** growth was found as the most dominant form of urban expansion in Tanzania while Dodoma,the capital city of Tanzania,had the highest rate of urban expansion when compared to all other individual *** most robust and significant interaction of the AWMLEI and MLEI was found in Kigoma,Arusha,Mtwara,Mafinga,and Tunduma *** contrast,Mbeya agricultural city,Arusha the tourist city,Tabora,and Geita Lake zone areas did show their own peculiarities revealing an interesting spatial temporal variation in rate and form of *** outcome of this study reveals that the influence and management of economic and socio-cultural opportunities will be an effective tool for the determination of the rapidly expanding cities and towns of Tanzania.

关键词： Urban growth indices drivers of urban forms urban forms and patterns landscape metrics Tanzania