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


Peer Reviewed Journal via three different mandatory reviewing processes, since 2006, and, from September 2020, a fourth mandatory peer-editing has been added.

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Published by
The International Institute of Informatics and Cybernetics


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Academia.edu
(A Community of about 40.000.000 Academics)


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

Quality Assurance

Editors

Journal's Reviewers
Call for Special Articles
 

Description and Aims

Submission of Articles

Areas and Subareas

Information to Contributors

Editorial Peer Review Methodology

Integrating Reviewing Processes


Transdisciplinary Communication as a Meta-Framework of Digital Education
Rusudan Makhachashvili, Ivan Semenist
(pages: 1-6)

Multidisciplinary Learning Using Online Networking in Biomedical Engineering
Shigehiro Hashimoto
(pages: 7-12)

Augmented Intelligence for Advancing Healthcare
Mohammad Ilyas
(pages: 13-19)

A Transdisciplinary Approach to Refereeal
Russell Jay Hendel
(pages: 20-25)

The Impact of Convictions on Interlocking Systems
Teresa Henkle Langness
(pages: 26-33)

Collaborative Convergence: Finding the Language for Trans-Disciplinary Communication to Occur
Cristo Leon, James Lipuma
(pages: 34-37)

Bridging the Gap Between the World of Education and the World of Business via Standards to Develop Competences of the Future at Universities
Paweł Poszytek
(pages: 38-42)

Multidisciplinary Learning for Multifaceted Thinking in Globalized Society
Shigehiro Hashimoto
(pages: 43-48)

From Spirituality to Technontology in Education
Florent Pasquier
(pages: 49-52)

Differentiated Learning and Digital Game Based Learning: The KIDEDU Project
Eleni Tsami
(pages: 53-57)

Emerging Role of Artificial Intelligence
Mohammad Ilyas
(pages: 58-65)

Practicing Transdisciplinarity and Trans-Domain Approaches in Education: Theory of and Communication in Values and Knowledge Education (VaKE)
Jean-Luc Patry
(pages: 66-71)

Reflexive Practice for Inter and Trans Disciplinary Research in the Third Millennium
Maria Grazia Albanesi
(pages: 72-76)


 

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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