CoMSIA and docking study of rhenium based estrogen receptor ligand analogs
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چکیده
منابع مشابه
Docking study of triphenylphosphonium cations as estrogen receptor α modulators
Virtual high throughput screening (VHTS) was performed to assess possible interactions which might occur between commercially available triphenylphosphonium (TPP) cations and estrogen receptor alpha (ERalpha) that could be exploited to design novel ERalpha modulators. One application of TPP cations is for delivering bioactive molecules to targets in mitochondria as the large membrane potential ...
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آزمون انطباقی رایانه ای (cat) روشی نوین برای سنجش سطح علمی دانش آموزان می باشد. در حقیقت آزمون های رایانه ای با سرعت بالایی به سمت و سوی جایگزین عملی برای آزمون های کاغذی می روند (کینگزبری، هاوسر، 1993). مقاله حاضر به دنبال آزمون انطباقی رایانه ای برای ترجمه می باشد. بدین منظور دو پرسشنامه مشتمل بر 55 تست ترجمه میان 102 آزمودنی و 10 مدرس زبان انگلیسی پخش گردید. پرسشنامه اول میان 102 دانشجوی س...
Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach
Ligand docking to flexible protein molecules can be efficiently carried out through ensemble docking to multiple protein conformations, either from experimental X-ray structures or from in silico simulations. The success of ensemble docking often requires the careful selection of complementary protein conformations, through docking and scoring of known co-crystallized ligands. False positives, ...
متن کاملStructural investigations of CXCR2 receptor antagonists by CoMFA, CoMSIA and flexible docking studies.
Three-dimensional quantitative structure activity relationship (3D QSAR) analysis was carried out on a et of 56 N,N'-diarylsquaramides, N,N'-diarylureas and diaminocyclobutenediones in order to understand their antagonistic activities against CXCR2. The studies included comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). Models with good ...
متن کامل[Receptor-ligand docking simulation for membrane proteins].
Protein structure-based molecular design using the computational techniques of protein structure prediction, ligand docking, and virtual screening is an integral part of drug discovery for limiting the application of the structure-based approach to target proteins such as G-protein-coupled receptors (GPCRs). GPCRs play an important role in living organisms and are of major interest to the pharm...
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ژورنال
عنوان ژورنال: Steroids
سال: 2007
ISSN: 0039-128X
DOI: 10.1016/j.steroids.2006.11.011