نتایج جستجو برای: novel descriptors for renin binding
تعداد نتایج: 10758905 فیلتر نتایج به سال:
A novel set of 3D descriptors, based on local grid-based COSMO s-profiles (LSPs), has been recently proposed as a promising alternative to force-field based MIFs in 3DQSAR [1]. These descriptors are grounded in the quantum chemistry-based COSMO-RS theory, which has become one of the methods of choice for the prediction of fluid phase equilibrium constants (e.g., partition coefficients, solubili...
In response to a homeostatic threat circulating renin increases by increasing the number of cells expressing renin by dedifferentiation and re-expression of renin in arteriolar smooth muscle cells (aSMCs) that descended from cells that expressed renin in early life. However, the mechanisms that govern the maintenance and reacquisition of the renin phenotype are not well understood. The cAMP pat...
The renin-angiotensin system (RAS) plays an important role in cardiovascular and renal physiology and disease, and the benefits of angiotensin-converting enzyme inhibitor, angiotensin type 1 receptor blocker, and renin inhibitor therapies are mediated in part by their modification of the levels and actions of angiotensin peptides. Despite its long history, the RAS remains an active area of rese...
Renin is an aspartyl protease involved in the production of angiotensin II, a potent vasoconstrictor. Renin inhibitors can prevent blood vessel constriction and therefore could be useful for the treatment of hypertension. High-throughput screening efforts identified a small molecule renin inhibitor with a core substituted diaminopyrimidine ring. Parallel medicinal chemistry efforts based on thi...
We propose a new empirical scoring function for binding affinity prediction modeled based on physicochemical and structural descriptors that characterize the nano-environment that encompass both ligand and binding pocket residues. Our hypothesis is that a more detailed characterization of protein-ligand complexes in terms of describing nano-environment as precisely as possible can lead to impro...
1. A high-molecular-weight renin (M(r) 60 000) was formed by the reaction of a low-molecular-weight renin (M(r) 40 000) with a renin-binding substance in canine renal cortical extract in the presence of the sulphydryl (SH) group oxidizing agent potassium tetrathionate; thus the reaction required SH oxidation. 2. Renin extracted from isolate renin granules was adsorbed on to thiopropyl Sepharose...
abstract in first part of this project, the use of a new and biguanid-like catalyst supported on silica as a recyclable catalyst provides a new route for the synthesis of a variety of arylalkylidene rhodanine derivatives through knoevenagle reaction in at present of solvent at room temperature. rhodanine derivatives and especially arylalkylidene rhodanines have proven to be attractive compound...
The identification of novel binding-site conformations can greatly assist the progress of structure-based ligand design projects. Diverse pocket shapes drive medicinal chemistry to explore a broader chemical space and thus present additional opportunities to overcome key drug discovery issues such as potency, selectivity, toxicity, and pharmacokinetics. We report a new automated approach to div...
Before discovery of (pro)renin receptor, prorenin was regarded as a source of renin and probable diagnostic marker for diabetic nephropathy/Wilms' tumor. It is now considered that prorenin can perform renin activity by binding to (P)RR and binding mechanism of (pro)renin to (P)RR was indicated in many in vitro studies. Considering the physiological importance and pathological involvement of (P)...
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