Results 41 to 50 of about 989 (99)
Docking Studies on HIV Integrase Inhibitors Based On Potential Ligand Binding Sites [PDF]
International Journal on Bioinformatics & Biosciences, vol. 2, pp.
21-29, 2012, 2012 HIV integrase is a 32 kDa protein produced from the C-terminal portion of the Pol gene product, and is an attractive target for new anti-HIV drugs. Integrase is an enzyme produced by a retrovirus (such as HIV) that enables its genetic material to be integrated into the DNA of the infected cell.
arxiv +1 more source
A Simplified Quantitative Real-Time PCR Assay for Monitoring SARS-CoV-2 Growth in Cell Culture
mSphere, 2020 Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has infected millions within just a few months, causing severe respiratory disease and mortality. Assays to monitor SARS-CoV-2 growth in vitro depend on time-consuming and costly RNA extraction
Christian Shema Mugisha +11 more
doaj +1 more source
Quantum-Chemistry based design of halobenzene derivatives with augmented affinities for the HIV-1 viral G4/C16 base-pair [PDF]
Front. Chem., 2020, 8, 440, 2019 The HIV-1 integrase (IN) is a major target for the design of novel anti-HIV inhibitors. Among these, three inhibitors which embody a halobenzene ring derivative (HR) in their structures are presently used in clinics. High-resolution X-ray crystallography of the complexes of the IN-viral DNA transient complex bound to each of the three inhibitors showed
arxiv +1 more source
Statistical Mechanics of Allosteric Enzymes [PDF]
Journal Physical Chemistry B 120 (2016) 6021-6037, 2017 The concept of allostery in which macromolecules switch between two different conformations is a central theme in biological processes ranging from gene regulation to cell signaling to enzymology. Allosteric enzymes pervade metabolic processes, yet a simple and unified treatment of the effects of allostery in enzymes has been lacking.
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Dominant role of GABAB2 and Gbetagamma for GABAB receptor-mediated-ERK1/2/CREB pathway in cerebellar neurons [PDF]
Cellular Signalling 19, 9 (2007) 1996-2002, 2008 gamma-aminobutyric acid type B (GABA(B)) receptor is an allosteric complex made of two subunits, GABA(B1) and GABA(B2). GABA(B2) plays a major role in the coupling to G protein whereas GABA(B1) binds GABA. It has been shown that GABA(B) receptor activates ERK(1/2) in neurons of the central nervous system, but the molecular mechanisms underlying this ...
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Allosteric impurity effects in long spin chains [PDF]
Phys. Rev. B 108, 054407 (2023), 2023 Allosterism traditionally refers to local changes in an extended object, for instance the binding of a ligand to a macromolecule, leading to a localized response at some other, possibly quite remote position. Here, we show that such fascinating effects may already occur in very simple and common quantum many-body systems, such as an anisotropic ...
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Known allosteric proteins have central roles in genetic disease [PDF]
, 2021 Allostery is a form of protein regulation, where ligands that bind sites located apart from the active site can modify the activity of the protein. The molecular mechanisms of allostery have been extensively studied, because allosteric sites are less conserved than active sites, and drugs targeting them are more specific than drugs binding the active ...
arxiv +1 more source
PharmaceuticalsBackground: The global AIDS pandemic highlights the urgent need for novel antiretroviral therapies (ART). In our previous work, Zinc C295 was identified as a potent HIV-1 integrase strand transfer (ST) inhibitor. This study explores its potential to also
Sharif Karim Sayyed +8 more
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The allosteric lever: towards a principle of specific allosteric response [PDF]
arXiv, 2023 Allostery, the phenomenon by which the perturbation of a molecule at one site alters its behavior at a remote functional site, enables control over biomolecular function. Allosteric modulation is a promising avenue for drug discovery and is employed in the design of mechanical metamaterials. However, a general principle of allostery, i.e.
arxiv
Prediction of allosteric sites and mediating interactions through bond-to-bond propensities [PDF]
Nature Communications 7, Article number: 12477 (2016), 2016 Allosteric regulation is central to many biochemical processes. Allosteric sites provide a target to fine-tune protein activity, yet we lack computational methods to predict them. Here, we present an efficient graph-theoretical approach for identifying allosteric sites and the mediating interactions that connect them to the active site.
arxiv +1 more source