scholarly journals wSDTNBI: a novel network-based inference method for virtual screening

2022 ◽  
Author(s):  
Zengrui Wu ◽  
Hui Ma ◽  
Zehui Liu ◽  
Lulu Zheng ◽  
Zhuohang Yu ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Drug Target ◽  
Rapid Development ◽  
Inference Method ◽  
New Type

In recent years, the rapid development of network-based methods for the prediction of drug-target interactions (DTIs) provides an opportunity for the emergence of a new type of virtual screening (VS),...

Virtual Screening, Molecular Modelling and Biochemical Studies to Exploit PF14_0660 as a Target to Identify Novel Anti-malarials

2019 ◽  
Vol 16 (4) ◽  
pp. 417-426
Author(s):  
Vimee Raturi ◽  
Kumar Abhishek ◽  
Subhashis Jana ◽  
Subhendu Sekhar Bag ◽  
Vishal Trivedi
Keyword(s):  
Virtual Screening ◽  
Phosphatase Activity ◽  
Molecular Modelling ◽  
Drug Target ◽  
Antimalarial Activity ◽  
Biochemical Study ◽  
Tyrosine Phosphatase ◽  
Host Protein ◽  
Dependent Manner ◽  
Multiple Sequence

Background: Malaria Parasite relies heavily on signal transduction pathways to control growth, the progression of the life cycle and sustaining stress for its survival. Unlike kinases, Plasmodium's phosphatome is one of the smallest and least explored for identifying drug target for clinical intervention. PF14_0660 is a putative protein present on the chromosome 14 of Plasmodium falciparum genome. Methods: Multiple sequence alignment of PF14_0660 with other known protein phosphatase indicate the presence of phosphatase motif with specific residues essential for metal binding, catalysis and providing structural stability. PF14_0660 is a mixed α/β type of protein with several β -sheet and α-helix arranged to form βαβαβα sub-structure. The surface properties of PF14_0660 is conserved with another phosphate of this family, but it profoundly diverges from the host protein tyrosine phosphatase. PF14_0660 was cloned, over-expressed and protein is exhibiting phosphatase activity in a dose-dependent manner. Docking of Heterocyclic compounds from chemical libraries into the PF14_0660 active site found nice fitting of several candidate molecules. Results: Compound PPinh6, PPinh 7 and PPinh 5 are exhibiting antimalarial activity with an IC50 of 1.4 ± 0.2µM, 3.8 ± 0.3 µM and 9.4 ± 0.6&#181M respectively. Compound PPinh 6 and PPinh 7 are inhibiting intracellular PF14_0660 phosphatase activity and killing parasite through the generation of reactive oxygen species. Conclusion: Hence, a combination of molecular modelling, virtual screening and biochemical study allowed us to explore the potentials of PF14_0660 as a drug target to design anti-malarials.

scholarly journals Features ensuring information security in various spheres of the Republic of Uzbekistan

2020 ◽  
Vol 1 (2) ◽  
pp. 1-9
Author(s):  
Jabbor Mukhammadiev
Keyword(s):  
Information Security ◽  
Information Technologies ◽  
Rapid Development ◽  
The State ◽  
International Media ◽  
Complex Information ◽  
New Type ◽  
The Republic ◽  
Important Object ◽  
Political Economic

In the international media space the issues of ensuring information security of the state is inseparably interrelated with the political, economic and legal guarantees for exercising freedom of speech and expression. The problem of ensuring the information security of any state is one of the most important aspects of its foreign policy, since it is the information sphere that is today considered to be the most important object of application of the activities of various participants in international relations. In connection with the rapid development of information technologies, threats of a new type are emerging - threats to information security on a national scale, respectively, the state must respond quickly to a changing situation and take decisive steps to organize a coherent complex information security system. The article analyzes the main approaches to providing information security of the country, formulated the goal, tasks, functions, principles of ensuring information security of the country

Virtual Screening Yields Inhibitors of Novel Antifungal Drug Target, Benzoate 4-Monooxygenase

2012 ◽  
Vol 52 (11) ◽  
pp. 3053-3063 ◽  
Author(s):  
Sabina Berne ◽  
Barbara Podobnik ◽  
Neja Zupanec ◽  
Metka Novak ◽  
Nada Kraševec ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Drug Target ◽  
Antifungal Drug

Targeting FGL2, a molecular drug target for glioblastoma, with natural compounds through virtual screening method

2021 ◽  
Author(s):  
Fahad Hassan Shah ◽  
Song Ja Kim
Keyword(s):  
Virtual Screening ◽  
Active Site ◽  
Drug Target ◽  
Screening Method ◽  
Tumor Development ◽  
Pharmacokinetic Profile ◽  
Natural Compounds ◽  
Screening Platform ◽  
Proliferation In Vitro

Background: Fibroleukin-2 protein (FGL2) causes redevelopment of brain tumors. Inhibition of these proteins has shown to improve glioblastoma prognosis and treatment efficacy. Aim: The current study gathered recently exploited natural compounds that suppress glioblastoma proliferation in vitro, tested against FGL2 protein. Method: Twenty-five compounds were explored through a virtual screening platform. Results: Three natural compounds (betanine, hesperetin and ovatodiolide) hit the active site of FGL2. Furthermore, the influence of these compounds was also assessed using in silico gene expression, and ADMET tools showed downregulation of some genes, which caused rapid tumor development while possessing a moderate acute toxicity and pharmacokinetic profile. Conclusion: Our study presents three compounds that are good candidates for evaluation in FGL2 mutated glioblastoma animal models.

scholarly journals Design and Implementation of A New-type Cloud Computing Examination System

2015 ◽  
Vol 10 (4) ◽  
pp. 28
Author(s):  
Xuedong Zhang ◽  
Shuqin Kang ◽  
Miaole Hou ◽  
Xianglei Liu
Keyword(s):  
Cloud Computing ◽  
Lower Cost ◽  
Rapid Development ◽  
Support Service ◽  
Design Development ◽  
Examination System ◽  
Computing Technology ◽  
New Type ◽  
Analysis System ◽  
Shared Network

With the rapid development of network technology, large enterprises have established their own online learning and examination system respectively. However, as those network examination systems are dispersive, closed and disconnected, so various resources are unable to be utilized in a balanced way, which may cause substantial waste of enterprise resources. To solve such a problem, the emerging cloud computing technology with the characteristics of service on demand and dynamic expansion capability, provides a possibility of a shared network examination system with lower cost, named as cloud exam support service. A feasible solution for the application of the cloud computing technology in the network examination, which combines the theoretical analysis, system design and technical implementation, is put forward in this paper. The design, development, and pilot application of the cloud examination system described in this paper show that this study is highly practical, operable, and worthy of application and popularization.

Experimental study on the flexural behavior of flat steel-concrete composite beam

2020 ◽  
Author(s):  
Xianlei Cao ◽  
Chao Cheng ◽  
Min Wang ◽  
Wen Zhong ◽  
Zhengyi Kong ◽  
...  
Keyword(s):  
Composite Beam ◽  
Design Theory ◽  
Shear Fracture ◽  
Rapid Development ◽  
Flexural Behavior ◽  
Flexural Stiffness ◽  
Moment Capacity ◽  
New Type ◽  
Flat Steel ◽  
Ductility Capacity

In this study, a new type of composite beam named flat steel-concrete composite beam is suggested for the rapid development of assembly structure. The experiment of seven flat steel-concrete composite beams and one traditional steel-concrete composite beam are performed to investigate their flexural behaviors. The failure mode of bending-shear fracture for the flat steel-concrete composite beam is found while the traditional steel-concrete composite beam fails by compression-bending fracture. The plane cross-section assumption is applicable to the flat steel-concrete composite beam. Compared with the traditional steel-concrete composite beam, the flat steel-concrete composite beam exhibits higher flexural stiffness, higher moment capacity, and higher ductility capacity. Based on the design theory of the traditional steel-concrete composite beam, simplified models for estimating the flexural stiffness and ultimate moment capacity of the flat steel-concrete composite beam are proposed, and they agree well with test data.

scholarly journals ANALYSIS OF METHODOLOGICAL POTENTIAL FOR EVALUATION OF CORPORATE SUSTAINABLE DEVELOPMENT / ĮMONIŲ DARNIOS PLĖTROS VERTINIMO METODINIO POTENCIALO ANALIZĖ

2015 ◽  
Vol 7 (2) ◽  
pp. 189-198
Author(s):  
Danguolė Oželienė ◽  
Rolandas Drejeris
Keyword(s):  
Economic Growth ◽  
Sustainable Development ◽  
Rapid Development ◽  
Future Research ◽  
Social Dimensions ◽  
Efficient Management ◽  
Market Economy System ◽  
New Type ◽  
Enterprise Level ◽  
Economy System

In the XXth century the concept of public welfare was associated with economic growth and its rate. It was assumed that the economic growth provides society with the needed tools to solve its ecological and social problems. Theory attempted to explain the most important factors influencing economic growth and its efficient management. Yet it was discovered that the market economy system is not capable of solving society’s problems. The new type of world society and economy requires the rapid formation of processes, which reflect changing consciousness of the population. These processes include the rapid development of information technology, globalisation, which highlighted the significance of the environment, and the formation of social movements. Moreover, all the issues arising due to rapid changes can be rationally solved in a sustainable way. The analysis of methods used for evaluation of sustainable development has demonstrated that there is a lack of studies devoted to the assessment of sustainable development at the enterprise level. The most common problem encountered while assessing sustainability of the enterprise at the national and regional levels are the inadequate indicators. These should be based not only on the economic, environmental and social dimensions but as well on the technological and institutional dimensions. Another problem is the unreasonable number of the chosen indicators, which do not represent its distinct significance. This paper analyzed the problems of the concept of sustainable development and its implementation at different levels because the progress can only be made when there are challenges to overcome. The concept of sustainable enterprise was analyzed, followed by a discussion of importance of assessment of sustainability in the enterprises with its positive and negative aspects. Guidelines for future research were also established. Darnios plėtros vertinimo metodų analizė mokslo darbuose parodė, kad pasigendama tyrimų, skirtų darnios plėtros vertinimui įmonių lygmenyje. Dažniausiai vertinimo problema nagrinėjama valstybių ar regionų lygmenyse, rodikliai nustatomi tik pagal ekonominę, aplinkosauginę ir socialinę dimensijas, rodiklių skaičius parenkamas gana gausus ir neatsižvelgiama į dimensijų reikšmingumų nustatymą. Straipsnio tikslas – išanalizuoti darniosios plėtros vertinimo metodinį potencialą ir, remiantis analizės rezultatais, nubrėžti pagrindines įmonės darnios plėtros vertinimo tobulinimo gaires. Tyrimui atlikti naudoti šie metodai: mokslinės literatūros sisteminė analizė, įvairių požiūrių sintezė, grindžiama logine abstrakcija. Straipsnyje aptartas darnios plėtros vertinimo aktualumas įmonių veikloje, apibendrinti vertinimo metodai, identifikuoti teigiami ir neigiami šių metodų aspektai, suformuotos problemos sprendimo gairės.

Study on the Application of Small-Size Wireless Network in Modern Model of Education

2011 ◽  
Vol 183-185 ◽  
pp. 1297-1301
Author(s):  
Bing Zhang ◽  
Tao Cheng
Keyword(s):  
Higher Education ◽  
Wireless Network ◽  
Computer Network ◽  
Low Cost ◽  
Rapid Development ◽  
Type Model ◽  
Network Technology ◽  
Network Access ◽  
Educational Methods ◽  
New Type

Since the 21st century, the rapid development of computer network technology has driven the new changes of all industries, of which institutes of higher education are the first to be affected, and a new revolution of methods of teaching and model of teaching has been started, namely, the wide application of modern educational technology. However, the new type model of teaching has suffered certain restrictions in the process of spread and exploitation due to the limitation of network access, and has not been fully utilized, which causes an unsatisfactory teaching effect. The expansion of network cabling requires a certain degree of economic strength, which is just generally deficient in all institutes of higher education. If depending on the wireless network infrastructure, we can connect variety of modern educational methods and network together under the premise of low cost investment so as to give full play to their important roles in teaching and create new mode of teaching for all institutes of higher education.

Design of Hydraulic Transmission Bicycle Based on Top-Down Method

2012 ◽  
Vol 468-471 ◽  
pp. 867-870 ◽  
Author(s):  
Yan Hong Yang ◽  
Xiang Qiang Zhong
Keyword(s):  
Rapid Development ◽  
Three Dimensional ◽  
New Product ◽  
Feature Modeling ◽  
Assembly Model ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
Top Down ◽  
Skeleton Model ◽  
New Type

Hydraulic transmission bicycle is a new type of vehicle. It is crucial for founding an effective method of rapid development for new product. The concept drafting of hydraulic transmission bicycle was drawn, the multiple layer assembly model was built based on parametric feature modeling technique, the skeleton model and total design of hydraulic transmission bicycle was accomplished by top-down method and drawings of relevant parts based on three-dimensional model were created. The result shows that top-down method provides a new idea to improve the rapid design of product’s updates.

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