A Decidable Equivalence for a Turing-complete, Distributed Model of Computation [PDF]
46th International Symposium on Mathematical Foundations of
Computer Science (MFCS 2021), 28:1--28:18, Leibniz International Proceedings
in Informatics (LIPIcs),2021, 2021 Place/Transition Petri nets with inhibitor arcs (PTI nets for short), which are a well-known Turing-complete, distributed model of computation, are equipped with a decidable, behavioral equivalence, called pti-place bisimilarity, that conservatively extends place bisimilarity defined over Place/Transition nets (without inhibitor arcs).
arxiv +1 more source
In silico identification of potential natural product inhibitors of human proteases key to SARS-CoV-2 infection [PDF]
Molecules 2020, 25(17), 3822, 2020 Presently, there are no approved drugs or vaccines to treat COVID-19 which has spread to over 200 countries and is responsible for over 3,65,000 deaths worldwide. Recent studies have shown that two human proteases, TMPRSS2 and cathepsin L, play a key role in host cell entry of SARS-CoV-2.
arxiv +1 more source
Prediction of Potential Commercially Available Inhibitors against SARS-CoV-2 by Multi-Task Deep Learning Model [PDF]
Biomolecules. 2022; 12(8):1156, 2020 The outbreak of COVID-19 caused millions of deaths worldwide, and the number of total infections is still rising. It is necessary to identify some potentially effective drugs that can be used to prevent the development of severe symptoms or even death for those infected.
arxiv +1 more source
Evolutionary Multi-Objective Design of SARS-CoV-2 Protease Inhibitor Candidates [PDF]
LNCS 12270 (2020) 357-371, 2020 Computational drug design based on artificial intelligence is an emerging research area. At the time of writing this paper, the world suffers from an outbreak of the coronavirus SARS-CoV-2. A promising way to stop the virus replication is via protease inhibition.
arxiv +1 more source
The formation of labyrinths, spots and stripe patterns in a biochemical approach to cardiovascular calcification [PDF]
New J. Phys 10, 055002 (2008), 2007 Calcification and mineralization are fundamental physiological processes, yet the mechanisms of calcification, in trabecular bone and in calcified lesions in atherosclerotic calcification, are unclear. Recently, it was shown in in vitro experiments that vascular-derived mesenchymal stem cells can display self-organized calcified patterns.
arxiv +1 more source
Benzophenone Semicarbazones as Potential alpha-glucosidase and Prolyl Endopeptidase Inhibitor: In-vitro free radical scavenging, enzyme inhibition, mechanistic, and molecular docking studies [PDF]
arXiv, 2023 $\alpha$-glucosidase and prolylendopeptidase has altered expression and activity patterns in neurological disease, type 2diabetes respectively and several cancers. Here we screened a series 1-29 benzophenone semicarbazone derivatives for in vitro free radical scavenging, alpha-glucosidase and prolylendopeptidase inhibition activities. Seven derivatives
arxiv
Fractional-order susceptible-infected model: definition and applications to the study of COVID-19 main protease [PDF]
, 2020 We propose a model for the transmission of perturbations across the amino acids of a protein represented as an interaction network. The dynamics consists of a Susceptible-Infected (SI) model based on the Caputo fractional-order derivative. We find an upper bound to the analytical solution of this model which represents the worse-case scenario on the ...
arxiv +1 more source
Mucin-inspired, high molecular weight virus binding inhibitors show biphasic binding behavior to influenza A viruses [PDF]
arXiv, 2020 Multivalent virus binding inhibitors are a promising new class of antivirals, preventing virus infection of cells by inhibiting the first step in the viral infection cycle - binding of viruses to the cell surface. The design of multivalent virus binding inhibitors is complex as many properties, such as inhibitor size and functionalization with virus ...
arxiv
Cyclooxygenase Inhibition Limits Blood-Brain Barrier Disruption following Intracerebral Injection of Tumor Necrosis Factor-alpha in the Rat [PDF]
Journal of Pharmacology and Experimental Therapeutics 323(2):
488-498 (2007), 2007 Increased permeability of the blood-brain barrier (BBB) is important in neurological disorders. Neuroinflammation is associated with increased BBB breakdown and brain injury. Tumor necrosis factor-a (TNF-a) is involved in BBB injury and edema formation through a mechanism involving matrix metalloproteinase (MMP) upregulation. There is emerging evidence
arxiv
Cyclooxygenase inhibition in ischemic brain injury [PDF]
Current Pharmaceutical Design 2008; 14(14):1401-1418, 2008 Neuroinflammation is one of the key pathological events involved in the progression of brain damage caused by cerebral ischemia. Metabolism of arachidonic acid through cyclooxygenase (COX) enzymes is known to be actively involved in the neuroinflammatory events leading to neuronal death after ischemia.
arxiv