Journal of
Systemics, Cybernetics and Informatics
 



ISSN: 1690-4524 (Online)


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Honorary Editorial Advisory Board's Chair
William Lesso (1931-2015)

Editor-in-Chief
Nagib C. Callaos


Sponsored by
The International Institute of
Informatics and Systemics

www.iiis.org
 

Editorial Advisory Board

Editors

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Description and Aims

Submission of Articles

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Editorial Peer Review Methodology

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Behavior of Cell in Uniform Shear Flow Field between Rotating Cone and Stationary Plate
Shigehiro Hashimoto, Hiromi Sugimoto, Haruka Hino
(pages: 1-7)

Teachers Continuing Professional Development: Trends in European Countries. Towards Teachers' Professionalism
Liliana Budkowska, Pawel Poszytek
(pages: 8-12)

Play, Connect and Learn: Using Mobile Phones to Improve Early Grade Reading Skills at Home
Ira Joshi
(pages: 13-16)

May Parental Reading Behavior Explain the Gender Differences in Subteeners’ Reading Attitude?
Aniko Joó, Erzsébet Dani
(pages: 17-22)

Leadership and Literacy Processes in School Improvement Creating and Supporting a Community of Success: A Case Study Examining the Principal’s Role in the Reconstitution of a Campus to Transform Literacy and Learning
W. Todd Duncan, Lisa E. Colvin
(pages: 23-28)

Rwandan Collaborative Model for Educator Capacity Building
Andrew Moore, Vincentie Nyangoma, Jaco Du Toit, Peter Wallet, Pascal Rukundo
(pages: 29-35)

Do You Know Where Your Students Are? Digital Supervision and Digital Privacy in Schools
Lorayne Robertson, Laurie Corrigan
(pages: 36-42)

A General Case Study of Complexity Science: Analytical and Logical Interconnection Between Soft and Hard Sciences (Invited Paper)
Jack Jia-Sheng Huang, Yu-Heng Jan
(pages: 43-48)

Novel Application of Immobilized Bacillus Cells for Biotreatment of Furfural-Laden Wastewater
Haneen A. Khudhair, Zainab Z. Ismail
(pages: 49-54)

Reliable Sub-Nanosecond Switching of a Perpendicular SOT-MRAM Cell without External Magnetic Field
Viktor Sverdlov, Alexander Makarov, Siegfried Selberherr
(pages: 55-59)

The Methodology and Implementation of Unique Technology Focused Entrepreneurship/Intrepreneurship Programs
Stephen A. Szygenda, Diana M. Easton
(pages: 60-66)

Intelligent Fault Pattern Recognition of Aerial Photovoltaic Module Images Based on Deep Learning Technique
Xiaoxia Li, Qiang Yang, Wenjun Yan, Zhebo Chen
(pages: 67-71)

Real-Time Implementation of Model Predictive Control in a Low-Cost Embedded Device
John Espinoza, Jorge Buele, Esteban X. Castellanos, Marco Pilatásig, Paulina Ayala, Marcelo V. García
(pages: 72-77)

Real-Time Sentimental Polarity Classification on Live Social-Media
Khalid N. Alhayyan, Imran Ahmad
(pages: 78-84)

Information Modeling and Information Retrieval for the Internet of things (IoT) in Buildings
Renata Baracho, Izabella Cunha, Mário Lúcio Pereira Junior
(pages: 85-91)


 

Abstracts

 


ABSTRACT


In vitro and in silico Approaches to the Identification of New Compounds with Antibacterial Profile

Carlos R. Rodrigues, Bruno Leal, Kely N. De Oliveira, Ariane S. S. R. Ferreira, Alice Bernardino, Ricardo J. Nunes, Vitor Ferreira, Maria C. De Souza, Anna C. Cunha, Helena C. Castro


The emergence of multidrug-resistant bacterial strains is a world problem that increases the need for new and more effective antimicrobials. On that purpose, derivatives of cyclic systems may serve as new leads for discovering new active molecules. In this work we evaluated the antibacterial profile of 243 molecules derived from the systems thienopyridine, pyrazolopiridine, quinolone, chalcone, hydrazone and lapachone against Gram-positive and Gram-negative susceptible and multiresistant strains also comparing them with antibiotics of clinical use. Our results showed that among the 243 molecules tested, only eight derivatives were active with promissing MIC values (2-64mg/mL). Our theoretical in silico analysis showed that all active compounds fulfilled Lipinski rule of five (molecular weight = 344.37–409.24, clogP = 3.15–4.11, nHBA = 6–7, and nHBD = 2), similarly to commercial drugs as well as presented better druglikeness values (from -3.68 to 0.12) than chloramphenicol (-4.61) and linezolid (-4.08). Most of the active derivatives presented a low in silico toxicity risk profile, similar to oxacillin, ampicillin, and penicillin G, and even lower than that observed for chloramphenicol and linezolid. Theoretically HOMO and the electrostatic protential distribution may be contributing for this safer profile. This study used computacional tools and may help to deal with an important world health problem.

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