The dock

Master's thesis of Science "Investigation into the modulation of circadian clock proteins by dietary compounds and small molecules" is structured as follows: Chapter 1 Introduction; Chapter 2 Identification of novel bioactive compounds from Olea europaea by evaluation of chemical compounds in the OliveNetTM library: in silico bioactivity and molecular modelling, and in vitro validation of hERG activity; Chapter 3 Modulation of circadian core clock proteins by dietary compounds; Chapter 4 Molecular mechanisms of action of selected olive phenolics against epigenetic modifiers and the structur...

235p runthenight04 02-02-2023 5 3   Download

Đề tài "Sàng lọc in silico các hợp chất alkaloid có tác dụng ức chế thụ thể ERalpha hướng điều trị bệnh ung thư vú" nghiên cứu nhằm 2 mục tiêu: Sàng lọc các hợp chất alkaloid có tác dụng ức chế thụ thể ER-alpha bằng phương pháp docking phân tử; phân tích các đặc điểm giống thuốc và tính toán các thông số dược động học và độc tính của các hợp chất tốt nhất thu được sau quá trình sàng lọc.

59p unforgottennight09 26-10-2022 25 12   Download

Khóa luận được nghiên cứu với mục tiêu nhằm sàng lọc và tìm kiếm hợp chất tự nhiên có tác dụng ức chế IL-6 bằng phương pháp docking; Nghiên cứu đặc điểm giống thuốc của các hợp chất tốt nhất, thu được sau quá trình sàng lọc, thông qua chỉ số hóa lý của cấu trúc và đặc điểm của cây dược liệu.

50p chuheodethuong25 12-07-2021 61 12   Download

Objectives of the dissertation: Structured design of coxib - combretastatin hybrid compounds. Synthesize coxib - combretastatin hybrid compounds. Screening for anti-cancer and anti-inflammatory activities of hybrid compounds. Identifying anti-inflammatory and anti-cancer mechanisms of hybrid compounds. Docking of a hybrid coxib - combretastatin compound with two purpose effect COX2 and tubulin.

27p extraenglish 24-05-2021 9 4   Download

Synthesis and structural determination of some 4-aminoquinazoline derivatives containing prop-2-yn-1-yloxy substituents at C-6 position; research and synthesize and determine the hybrid compound structure containing Quinazoline frame; research on carcinogenic activity and inhibition of acetylcholinesterase enzyme of synthetic compounds; studying protein docking and predicting the pharmacokinetic properties of some compounds that inhibit the enzyme acetylcholinesterase.

26p capheviahe27 23-02-2021 41 4   Download

The selective effects of these inhibitors are governed by substituent at position 5. Kinetic studies and molecular docking simulation were performed for elucidating mechanisms of enzyme-inhibitor complex formation.

12p tocectocec 25-05-2020 7 0   Download

The objectives of the thesis: Molecular docking studies on acetylcholinesterase were performed to predict the chalcone structure has good in silico AChE acetylcholinesterase inhibitory activity. The potential chalcone compounds were synthesized and studied for their in vitro and in vivo AChE inhibitory activities

25p xacxuoc4321 09-07-2019 40 7   Download

pay off pay off (informal) (of a plan or an action, especially one that involves risk): to be successful and bring good results eg: The gamble paid off. pay somebody off/ pay off somebody: - to pay somebody what they have earned and tell them to leave their job Eg: The crew were paid off as soon as the ship docked

4p lathucuoicung123 26-09-2013 90 9   Download

Dock cho Mac Snow Leopard .Thanh tiện ích Dock là một cách tuyệt vời để lưu trữ các chương trình bạn thường sử dụng mà không cần vào thư mục Applications để tìm kiếm chúng mỗi khi cần đến. Tuy nhiên nếu bạn có quá nhiều các chương trình thường xuyên sử dụng, điều này có thể khiến bạn cảm thấy thanh dock ngày càng đông đúc và không còn tiện lợi như trước.

6p chuaaiyeu 19-08-2013 43 4   Download

Bạn có thể thiết lập để chạy ứng dụng tự động khi khởi động máy Mac trực tiếp trên thanh Dock hay chọn trong System Preferences của Mac OS X. Đôi khi bạn muốn thiết lập để một số ứng dụng tự động chạy mỗi khi khởi động máy Mac. Với hai thủ thuật đơn giản sau, bạn có thể dễ dàng cho bất kì ứng dụng nào hay thậm chí một loạt ứng dụng tự động chạy khi khởi động HĐH Mac. Các thủ thuật sau hoạt động tốt trên HĐH Mac OS X Lion, nhưng cũng chạy tốt...

3p sunshine_10 28-07-2013 95 4   Download

Introducing site-directed mutations in surface-exposed residues of subunit II of the heme aa3 cytochrome c oxidase of Paracoccus denitrificans, we analyze the kinetic parameters of electron transfer from reduced horse heart cytochrome c. Specifically we address the following issues: (a) which residues on oxidase contribute to the docking site for cytochrome c, (b) is an aromatic side chain required for electron entry from cytochrome c, and (c) what is the molecular basis for the previously observed biphasic reaction kinetics....

9p system191 01-06-2013 36 3   Download

The structure of the N-terminal docking and dimerization domain of the type IIa regulatory subunit (RIIa D/D) of protein kinase A (PKA) forms a noncovalent stand-alone X-type four-helix bundle structural motif, consisting of two helix-loop-helix monomers. RIIa D/D possesses a strong hydrophobic core and two distinct, exposed faces. A hydrophobic face with a groove is the site of protein–protein interactions necessary for subcellular localization.

12p research12 01-06-2013 49 4   Download

Csk-binding protein⁄phosphoprotein associated with glycosphingolipid-enriched domains is a transmembrane adaptor protein primarily involved in negative regulation of T-cell activation by recruitment of C-terminal Src kinase (Csk), a protein tyrosine kinase which represses Src kinase activity through C-terminal phosphorylation. Recruitment of Csk occurs via SH2-domain binding to PAG pTyr317, thus, the interaction is highly dependent on phosphorylation performed by the Src family kinase Fyn, which docks onto PAG using a dual-domain binding mode involving both SH3- and SH2-domains of Fyn....

12p research12 29-04-2013 40 3   Download

The X-ray structure of variant A of authentic boar salivary lipocalin (SAL), a pheromone-binding protein specifically expressed in the submaxillary glands of the boar, has been solvedandrefinedat 2.1 A ˚ resolution.The structuredisplays a classical lipocalin fold with a nine-stranded sandwiched bbarrel and anahelix.

8p research12 29-04-2013 36 2   Download

Although a steadily increasing number of protein±ligand docking experiments have been performed successfully, there are only few studies concerning protein±sugar inter-actions. In this study, we investigate the interaction of wheat germ agglutinin (WGA) withN-acetylglucosamine and a number of its derivatives and predict the binding free ener-gies using ¯exible docking techniques.

7p research12 29-04-2013 35 2   Download

Protein molecular modelling and ligand docking were employed for the design of anthraquinone galactosyl-bio-mimetic dye ligands (galactosyl-mimodyes) for the target enzyme galactose dehydrogenase (GaDH). Using appro-priate modelling methodology, a GaDH model was build based on a glucose-fructose oxidoreductase (GFO) protein template.

15p tumor12 22-04-2013 46 2   Download

The role of the negative charge of the E139 side-chain of AnabaenaFerredoxin-NADP + reductase (FNR) in steering appropriate docking with its substrates ferredoxin, flavo-doxin and NADP + /H, that leads to efficient electron transfer (ET) is analysed by characterization of several E139 FNRmutants. Replacement of E139 affects the interaction with the different FNRsubstrates in very different ways.

10p tumor12 22-04-2013 37 2   Download

The mitogen activated protein (MAP) kinase module: (Raf fiMEKfiERKs) is central to the control of cell growth, cell differentiation and cell survival. The fidelity of signalling and the spatio-temporal activation are key deter-minants in generating precise biological responses. The fidelity is ensured by scaffold proteins – protein kinase
insulators – andby specific docking sites. The duration and the intensity of the response are in part controlled by the compartmentalization of the signalling molecules. ...

9p tumor12 20-04-2013 30 2   Download

NMR spectroscopy and X-ray crystallography have provi-ded important insight into structural features of phenyl-alanine hydroxylase (PAH) and tyrosine hydroxylase (TH). Nevertheless, significant problems such as the substrate specificity of PAHand the different susceptibility of TH to feedback inhibition by L-3,4-dihydroxyphenylalanine (L-DOPA) compared with dopamine (DA) remain unre-solved.

11p tumor12 20-04-2013 51 3   Download

It has been shown previously in various organisms that the peroxin PEX14 is a component of a docking complex at the peroxisomalmembrane,where it is involved in the import of matrix proteins into the organelle after their synthesis in the cytosol and recognition by a receptor. Here we present a characterization of theTrypanosoma bruceihomologue of PEX14. It is shown that the protein is associated with gly-cosomes,the peroxisome-like organelles of trypanosomatids in which most glycolytic enzymes are compartmentalized....

9p fptmusic 16-04-2013 46 2   Download