Results 21 to 30 of about 93,106 (305)

Modeling and evolving biochemical networks: insights into communication and computation from the biological domain [PDF]

, 2008
This paper is concerned with the modeling and evolving of Cell Signaling Networks (CSNs) in silico. CSNs are complex biochemical networks responsible for the coordination of cellular activities.
J. Decraene, G.G. Mitchell, B. McMullin, McMullin, Barry, Decraene, James, Mitchell, George G.   +5 more
core   +1 more source

Identification of Potential COX-2 Inhibitors for the Treatment of Inflammatory Diseases Using Molecular Modeling Approaches

Molecules, 2020
Non-steroidal anti-inflammatory drugs are inhibitors of cyclooxygenase-2 (COX-2) that were developed in order to avoid the side effects of non-selective inhibitors of COX-1. Thus, the present study aims to identify new selective chemical entities for the
Pedro H. F. Araújo, Ryan S. Ramos, Jorddy N. da Cruz, Sebastião G. Silva, Elenilze F. B. Ferreira, Lúcio R. de Lima, Williams J. C. Macêdo, José M. Espejo-Román, Joaquín M. Campos, Cleydson B. R. Santos   +9 more
doaj   +1 more source

In Silico Models for Drug Resistance [PDF]

, 2013
Resistance to drugs that treat infectious disease is a major problem worldwide. The rapid emergence of drug resistance is not well understood. We present two in silico models for the discovery of drug resistance mechanisms and for combating the evolution of resistance, respectively.
Fatumo, S., Adebiyi, Marion O., Adebiyi, Ezekiel   +2 more
openaire   +3 more sources

Peptidomimetic 1-Benzyl-5-methyl-4-(n-octylamino)pyrimidin-2(1H)-one Showed Cardioprotection Effect in a Myocardial Ischemia (MI) Mouse Model

Proceedings, 2019
TLR4, a member of the toll-like receptors (TLRs) family, serves as a pattern recognition receptor in the innate immune response to different microbial pathogens. [...]
Lena Trifonov, Vadim Nudelman, Michael Zhenin, Guy Cohen, Krzysztof Jozwiak, Edward Korshin, Hanoch Senderowitz, Asher Shainberg, Edith Hochhauser, Arie Gruzman   +9 more
doaj   +1 more source

Semantically Linking in Silico Cancer Models [PDF]

Cancer Informatics, 2014
Multiscale models are commonplace in cancer modeling, where individual models acting on different biological scales are combined within a single, cohesive modeling framework. However, model composition gives rise to challenges in understanding interfaces and interactions between them.
Johnson, D, Connor, AJ, McKeever, S, Deisboeck, TS, Wang, Z, Quasier, T, Shochat, E   +6 more
openaire   +7 more sources

Combined In Silico, In Vivo, and In Vitro Studies Shed Insights into the Acute Inflammatory Response in Middle-Aged Mice [PDF]

, 2013
We combined in silico, in vivo, and in vitro studies to gain insights into age-dependent changes in acute inflammation in response to bacterial endotoxin (LPS). Time-course cytokine, chemokine, and NO2-/NO3- data from "middle-aged" (6-8 months old) C57BL/
Vodovotz, Yoram, Derek Barclay, Ruben Zamora, Zamora, R, Bartels John, Billiar, TR, Yoram Vodovotz (59974), Billiar Timothy R., Rami A Namas, Vodovotz, Y, Derek Barclay (258485), Bartels, John, Rosemary Hoffman, Rami A. Namas, Barclay, Derek, Ruben Zamora (221654), Hoffman, Rosemary, Rami A. Namas (429290), Hoffman Rosemary, Billiar, Timothy R., Rosemary Hoffman (429291), Zamora Ruben, Timothy R Billiar, Namas Rami A., Yoram Vodovotz, Barclay Derek, Namas, RA, John Bartels (377805), Timothy R. Billiar (91972), Vodovotz Yoram, John Bartels, Namas, Rami A, Timothy R. Billiar, Zamora, Ruben, Hoffman, R, Barclay, D, Bartels, J   +36 more
core   +1 more source

Molecular Modeling Approaches Can Reveal the Molecular Interactions Established between a Biofilm and the Bioactive Compounds of the Essential Oil of Piper divaricatum

Molecules, 2022
Molecular modeling approaches are used in a versatile way to investigate the properties of diverse organic and inorganic structures such as proteins, biomolecules, nanomaterials, functionalized nanoparticles, and membranes. However, more detailed studies
Jorddy Neves Cruz, Mozaniel Santana de Oliveira, Eloisa Helena de Aguiar Andrade, Rafael Rodrigues Lima   +3 more
doaj   +1 more source

In Silico Models for Ecotoxicity of Pharmaceuticals [PDF]

, 2016
Pharmaceuticals and their active metabolites are one of the significantly emerging environmental toxicants. The major routes of entry of pharmaceuticals into the environment are industries, hospitals, or direct disposal of unwanted or expired drugs made by the patient.
Roy, Kunal, Kar, Supratik
openaire   +2 more sources

Ethics in autonomous robots as philosophy in silico: The study case of phronetic machine ethics

Logos i Ethos, 2020
The paper explores the application of computing science to the modeling of the ethical concepts. The modeling in computers is denoted as in silico modeling.
Paweł Polak, Roman Krzanowski
doaj   +1 more source

In silico modeling in infectious disease

Drug Discovery Today: Disease Models, 2007
Infectious disease has witnessed the emergence of mathematical modeling a tool of synthesizing data of growing complexity now available to clinicians and basic scientists alike. The purpose of this review is to introduce mathematical tools commonly used to model infectious disease.
Daun, Silvia, Clermont, Gilles
openaire   +2 more sources