Journal of
Systemics, Cybernetics and Informatics
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ISSN: 1690-4524 (Online)


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Editorial Advisory Board's Chair
William Lesso

Editor-in-Chief
Nagib C. Callaos


Sponsored by
The International Institute of
Informatics and Systemics

www.iiis.org
 

Editorial Advisory Board

Editors

Journal's Reviewers
 

Description and Aims

Submission of Articles

Areas and Subareas

Information to Contributors

Editorial Peer Review Methodology

Integrating Reviewing Processes


Are We Meeting Pedagogic Requirements? – The Quadratic Equation
Russell Jay Hendel
(pages: 1-7)

Facilitating Effective Student Participation in an Online Environment
Nanda van der Stap, Risa Blair
(pages: 8-11)

Virtual Global Classrooms without Walls: Collaborative Opportunities for Higher Learning Engagement
Cathy MacDonald, Debra Sheppard-LeMoine
(pages: 12-16)

Augmented Reality as Visual Communication for People with ASD
Esteban Menéndez, María Daniela López de Luise
(pages: 17-21)

Study of Race Condition: A Privilege Escalation Vulnerability
Tanjila Farah, Rashed Shelim, Moniruz Zaman, Delwar Alam
(pages: 22-26)

From the Lab to the Field: 3D Technology Supporting Study and Conservation Processes on Ancient Egyptian Artefacts
Paola Buscaglia, Elena Biondi, Alessandro Bovero, Tomasso Quirino
(pages: 27-32)

Digital Forensics Compute Cluster (DFORC2) – A New High Speed Distributed Computing Capability for Digital Forensics
Daniel Gonzales, Zev Winkelman, Trung Tran, Ricardo Sanchez, Dulani Woods, John Hollywood
(pages: 33-38)

Proposal of a Bus Location System Based on Participatory Sensing with BLE Devices and Smartphones
Katsuhiro Naito, Katsuyuki Tanaka
(pages: 39-44)

Technical Change and Employment in an Emerging Economy
Humberto Merritt
(pages: 45-53)

Interpretation of the Results of a Case Study about Impacts and Influences of Exogenous Variables in the Planning of Chronogram and Budget in Software Projects
Altino José Mentzingen de Moraes
(pages: 54-59)

Flipped Classroom – A Flexible Way of Teaching Technology Usage for Diagnostics in the Medical Subdomain ENT
Walter Koch, Jochen Schachenreiter, Klaus Vogt, Gerda Koch
(pages: 60-64)

ERP Selection: The Lifeblood of an Organization
Desmond (Tres) Bishop
(pages: 65-69)

Proposing an Education System to Judge the Necessity of Nuclear Power in Japan
Ariyoshi Kusumi
(pages: 70-74)

Biometric Encryption System for Increased Security
Ranjith Jayapal, Pramod Govindan
(pages: 75-80)

BIM as a Structural Safety Study Tool in Case of Fire - BIMSCIP
Marcelo Franco Porto, José Ricardo Queiroz Franco, Luiza Giori Barcellos Correa, Lucas Vinicius Ribeiro Alves, Renata Maria Abrantes Baracho
(pages: 81-86)

Evaluating the Construct Validity of Basic Science Curriculum Assessment Instrument for Critical Thinking: A Case-Study
Chau-Kuang Chen, Adriana Marie Horner, Michelle Scott, Stephanie C. McClure
(pages: 87-92)

The Outer Banks Study – Physio-Chemical Parameters for Water Quality Testing/Professional Development Program for Teachers
Joseph Stringer, Timothy Bowman, Keith Vinson, Catherine Warnecke, Nora Lewis, William Slattery, Suzanne K. Lunsford
(pages: 93-97)


 

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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