Rapid binding site analysis by means of structural interaction fingerprint patterns – an implication to GPCR-targeted CADD
نویسندگان
چکیده
منابع مشابه
Rapid binding site analysis by means of structural interaction fingerprint patterns – an implication to GPCR-targeted CADD
One of the most troublesome stages of Computer Aided Drug Design (CADD) process is analyzing huge amount of data provided by docking studies. Simple scoring functions alone can provide only shallow information about ligand-receptor interactions, since they do not distinguish neither residues nor single atoms. Very often a visual inspection is the only way to determine a binding mode. Here, we i...
متن کاملanalyzing patterns of classroom interaction in efl classrooms in iran
با به کار گیری روش گفتما ن شنا سی در تحقیق حا ضر گفتا ر میا ن آموزگا را ن و زبا ن آموزا ن در کلا سهای زبا ن انگلیسی در ایرا ن مورد بررسی قرار گرفت. ا هداف تحقیق عبا رت بودند از: الف) شنا سا ئی سا ختارهای ارتبا ط گفتا ری میا ن معلمین و زبا ن آموزا ن ب) بررسی تا ثیر نقش جنسیت دبیرا ن و زبا ن آموزان بر سا ختا رهای ارتبا ط گفتا ری میا ن آنها پ) مشخص کردن اینکه آ یا آموزگاران غا لب بر این ارتبا ط گف...
Predicting GPCR Promiscuity Using Binding Site Features
G protein-coupled receptors (GPCRs) represent a large family of signaling proteins that includes many therapeutic targets. GPCR ligands include odorants, tastants, and neurotransmitters and vary in size and properties. Dramatic chemical diversity may occur even among ligands of the same receptor. Our goal is to unravel the structural and chemical features that determine GPCRs' promiscuity towar...
متن کاملStructural basis for ligand binding and specificity in adrenergic receptors: implications for GPCR-targeted drug discovery.
Crystal structures of engineered human beta 2-adrenergic receptors (ARs) in complex with an inverse agonist ligand, carazolol, provide three-dimensional snapshots of the disposition of seven transmembrane helices and the ligand-binding site of an important G protein-coupled receptor (GPCR). As expected, beta 2-AR shares substantial structural similarities with rhodopsin, the dim-light photorece...
متن کاملGPCR-Targeted Library
Introduction Owing to historic inefficiency of mass random bioscreening, the current paradigm suggests that target-specific and pharmacokinetic properties of small molecule libraries should be addressed as early as possible in the discovery process. Computational medicinal chemistry can address this problem at the level of pre-synthetic library design. A number of advanced in silico methods hav...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2011
ISSN: 1758-2946
DOI: 10.1186/1758-2946-3-s1-p42