In silico identification of potential inhibitors for human aurora kinase b

Cell cycle progression through mitosis and meiosis involves regulation by serine/threonine kinases from the aurora family. Aurora kinase b (Aurkb) is mainly involved in the proper segregation of chromosomes during mitosis as well as meiosis. However, over expression of Aurkb leads to the unequal distribution of genetic information creating aneuploid cells, a hallmark of cancer. Thus, Aurkb can be used as an effective molecular target for computer-aided drug discovery against cancer. Existing Aurkb inhibitors are less efficient, hence an in silico work was carried out to identify novel potent inhibitors. Three published inhibitors azd1152, zm447439 and N-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy) quinazolin- 4-yl] amino} phenyl) benzamide were subjected to high throughput virtual screening of over 1 million entries from a ligand info meta database, to generate a 1161 compound library. The crystal structure was optimized and energy was minimized applying an OPLS force field in Maestro v9.0. Molecular docking using Glide was performed to predict the binding orientation of the prepared ligand molecule into a grid of 20*20*20 Å created around the centroid of the optimized human Aurkb protein. Nine lead molecules with good binding affinity with human Aurkb were identified. In silico pharmacokinetics study for these nine lead molecules has shown no ADME violation. Analysis of lead ‘1’- human Aurkb docking complex has revealed a XP Gscore of -10.20 kcal/mol with a highly stabilized hydrogen bond network with Asp218 and Ala157 and good Van der wall interactions. The docking complex coincides well with the native co- crystallized human Aurkb and inhibitor zm447439 complex. Thus, lead 1 would be highly useful for developing potential drug molecules for the treatment of cancer

In silico identification of potential inhibitors for human aurora kinase b

Cell cycle progression through mitosis and meiosis involves regulation by serine/threonine kinases from the aurora family. Aurora kinase b (Aurkb) is mainly involved in the proper segregation of chromosomes during mitosis as well as meiosis. However, over expression of Aurkb leads to the unequal distribution of genetic information creating aneuploid cells, a hallmark of cancer. Thus, Aurkb can be used as an effective molecular target for computer-aided drug discovery against cancer. Existing Aurkb inhibitors are less efficient, hence an in silico work was carried out to identify novel potent inhibitors. Three published inhibitors azd1152, zm447439 and N-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy) quinazolin- 4-yl] amino} phenyl) benzamide were subjected to high throughput virtual screening of over 1 million entries from a ligand info meta database, to generate a 1161 compound library. The crystal structure was optimized and energy was minimized applying an OPLS force field in Maestro v9.0. Molecular docking using Glide was performed to predict the binding orientation of the prepared ligand molecule into a grid of 20*20*20 Å created around the centroid of the optimized human Aurkb protein. Nine lead molecules with good binding affinity with human Aurkb were identified. In silico pharmacokinetics study for these nine lead molecules has shown no ADME violation. Analysis of lead ‘1’- human Aurkb docking complex has revealed a XP Gscore of -10.20 kcal/mol with a highly stabilized hydrogen bond network with Asp218 and Ala157 and good Van der wall interactions. The docking complex coincides well with the native co- crystallized human Aurkb and inhibitor zm447439 complex. Thus, lead 1 would be highly useful for developing potential drug molecules for the treatment of cancer

Single phase transformerless inverter for grid connected photovoltaic system with reduced leakage current

Introduction. Transformerless inverters are of vital importance in the field of grid connected solar photovoltaic systems offering higher efficiency than the conventional one. i.e., using transformer. General grid connected inverters are constituting of transformers requires more area besides the loss in them.  Problem. Eliminating transformers can cause leakage current due to the variation of common mode voltage which in turn due to parasitic capacitance effect. Research literature in transformerless inverters has addressed the problems of common mode leakage current issues by offering the study of different inverter topologies like H4, H5, H6 and HERIC etc. utilizing variety of modulation strategies like unipolar, bipolar pulse width modulations. Goal. The paper significantly presents a new transformerless inverter topology, analyzes common mode voltage and leakage current behavior of the system. The simulation is carried out for comparing the leakage current profiles with other transformerless inverter topologies in literature. Novelty. This paper gives an impression of the efficient transformerless inverter for grid connected photovoltaic system. Results. The various inverter topologies full bridge with different pulse width modulation techniques are analyzed and to determine the common mode voltages and leakage currents.Вступ. Безтрансформаторні інвертори мають життєво важливе значення в області сонячних фотоелектричних систем, підключених до мережі, та забезпечують більш високу ефективність, ніж звичайні, завдяки трансформатору. Підключені до загальної мережі інвертори, які складаються з трансформаторів, потребують більшої площі через втрати у них. Проблема. Усунення трансформаторів може спричинити струм витоку через зміну синфазної напруги через вплив паразитної ємності. Дослідницька література з безтрансформаторних інверторів присвячена проблемам синфазних струмів витоку, пропонуючи дослідження різних топологій інверторів, таких як H4, H5, H6, HERIC та ін., з використанням різних стратегій модуляції, таких як уніполярна, біполярна широтно-імпульсна. Мета. У статті докладно подано нову топологію безтрансформаторного інвертора, проаналізовано поведінку синфазної напруги та струму витоку в системі. Моделювання проводиться для порівняння профілів струму витоку з іншими топологіями безтрансформаторних інверторів, описаних у літературі. Новизна. Ця стаття містить ефективний безтрансформаторний інвертор для фотоелектричної системи, підключеної до мережі. Результати. Проаналізовано різні топології інверторів з повним мостом та різними методами широтно-імпульсної модуляції, а також визначено синфазну напругу та струми витоку

Linear Cu(I) chalcogenones: synthesis and application in borylation of unsymmetrical alkynes

The syntheses and structures of copper(I) chalcogenone complexes are described. The homoleptic mononuclear copper(I) complexes [(IPrvE)(2)Cu]ClO4, IPr=E, 1,3-bis(2,6-diisopropylphenyl)imidazoline-2-thione (1) and 1,3-bis(2,6-diisopropylphenyl)imidazoline-2-selone (2); [(IMes=E)(2)Cu]ClO4, IMes=E, 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-thione (3) and 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone(4); [(IPr=E)(2)Cu]BF4, E = S (5); E = Se (6) and [(IMes=E)(2)Cu]BF4, E = S (7); E = Se (8) are formed from the reduction of copper(II) to copper(I) with the corresponding imidazoline-2-chalcogenones. X-ray structure analyses of seven compounds (1-3 and 5-8) show that the copper(I) ion is in a perfect linear coordination, while 4 is in quasi-linear geometry. Molecules 2, 4, 6 and 8 are the first structurally characterized homoleptic copper(I) selone complexes. The optical and thermal properties of imidazoline-2-chalcogenones and their copper(I) derivatives are investigated. These complexes are able to act as catalysts in regioselective borylation of numerous unsymmetrical alkynes, yielding synthetically useful vinylboronates. Among catalysts 1-8, catalyst 4 is highly selective towards the regioselective boron addition of 1-phenyl-1- propyne

GSM BASED INTELLIGENT WIRELESS MOBILE PATIENT MONITORING SYSTEM USING ZIGBEE COMMUNICATION

Miniaturization of biomedical sensors helped the fast development and popularization of information processing and wireless data transmission technology, the research of wireless Medical Monitoring System has became a hot topic. By utilizing the wireless technique to transmit information between medical sensor and monitoring control center, the free space of patients is enlarged, and the efficiency of the modern management of hospitals is improved. Besides, the problem of the lack of unremitted real-time care for every patient, which is caused by the shortage of health care members, is also solved. Therefore, the portable wireless medical monitoring products will become popular in the future market. This paper deals with one of such Medical Application of Wireless Networks

SCAVENGING OF FREE RADICALS AND TOTAL PHENOLS OF METHANOL EXTRACT OF AZIMA TETRACANTHA LAM

Objective: To report the antioxidant activity, phenolic acid profile of the Azima tetracantha methanolic extract and find the correlation between the total phenolic content and their relative antioxidant activity Methods: The total antioxidant activity, hydroxyl radical and hydrogen peroxide scavenging of A. tetracantha methanol extract was evaluated by adopting various standard methods. Total phenolic content was estimated from dried methanolic extract and the phenolic acids in the extract were identified by HPLC. Results: The methanolic extract of A. tetracantha showed free radical scavenging in a concentration dependant manner. The studies showed that the extract possess high free radical scavenging property, especially against hydroxyl radicals (67.61±0.42%). The correlation analysis results showed linear relation between phenolics content of methanolic extract and antioxidant assays (R2=0.97, 0.94, 0.99 and 0.98, significance at P<.0.001). The phenolic acid profile showed the presence of both benzoic acid and cinnamic acid derivatives, well known for their antioxidant potential. Conclusion: The current observations suggested that the methanol extract of A. tetracantha exhibited multiple antioxidant activities, by scavenging free radicals. So, it can be concluded that the extract is a source of natural antioxidant, suggesting its traditional use as a rejuvenating agent

Low-energy formulas for neutrino masses with tan⁡β\tan \beta-dependent hierarchy

Using radiative correction and seesaw mechanism,we derive analytic formulas for neutrino masses in SUSY unified theories exhibiting, for the first time, a new hierarchial relation among them.The new hierarchy is found to be quite significant especially for smaller values of $\tan\beta$.Comment: 10 pages,REVTEX, no figures,typographical errors rectifie

Energy-Efficient UAV Trajectories: Simulation vs Emulation

This paper uses an emulator to verify an energy-efficient trajectory for an unmanned aerial vehicle (UAV) acting as a portable access point (PAP) to serve a set of users. Specifically, we use the Common Open Research Emulator (CORE), and Extendable Mobile Ad-hoc Network Emulator (EMANE), which allow us to take theoretical assumptions regarding data transfer rates and transmission characteristics and test them in the virtualized wireless networking setting the two tools provide us. The optimal fly-hover-communicate trajectory that maximizes the system's energy efficiency is obtained using a circle-packing algorithm. The CORE-EMANE emulator results match the simulated results, thereby verifying the practicality of the obtained trajectory solution

A Literature Survey on the Cryptographic Encryption Algorithms for Secured Data Communication

Security has become a buzzword over the current years. As per Wikipedia, 55.1% of global population has internet access (June 2018). Hence, it is obvious that huge volume of data is exchanged among the users over the internet. As a result, everybody is worried about data security while transmission of any confidential data. In this proposed paper, several cryptographic algorithms are discussed based on concepts of encryption and decryption. Cryptography algorithms provide the mechanisms necessary to implement accountability, accuracy and confidentiality in secured communication. This is further preceded with the widespread adoption of secure protocols such as secure Internet Protocol and virtual private networks. Efficient cryptographic processing, therefore, will become increasingly vital to good system improvement results. Cryptographic algorithms provide many key building block for network security related services. Cyber attacks (intrusion) were up 44% globally during Q1 2018, and the speed of attacks continues to increase exponentially. 75% of organizations have experienced a breach, but only 25–35% believes they are equipped to deal with these intrusions effectively