Tuyển tập các báo cáo nghiên cứu về y học được đăng trên tạp chí y học quốc tế cung cấp cho các bạn kiến thức về ngành y đề tài: The discovery of potential acetylcholinesterase inhibitors: A combination of pharmacophore modeling, virtual screening, and molecular docking studies
This book is divided into different research areas relevant in Bioinformatics such as biological networks, next generation sequencing, high performance computing, molecular modeling, structural bioinformatics, molecular modeling and intelligent data analysis. Each book section introduces the basic concepts and then explains its application to problems of great relevance, so both novice and expert readers can benefit from the information and research works presented here.
The binding characteristics of a series of PPARcligands
(GW9662, GI 262570, cis-parinaric acid, 15-deoxy-D
, LY171883, indomethacin, linoleic acid,
palmitic acid and troglitazone) to human PPARcligand
binding domain have been investigated for the first time by
using surface plasmon resonance biosensor technology, CD
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....
Hyundai Heavy Industries has successfully built a large LPG cargo without using dry
dock “called on-ground building method” for the first time in the world. Daewoo
Shipbuilding & Marine Engineering has built Bulk and LPG carriers with “on-ground
building and launching barge” mixed production method. Hanjin Heavy Industries has
delivered 8400 TEU container ship, whose length was over the length of dry dock, by
using “DAM Production Technology”. By this technology two parts of a ship could be
erected on the sea after launching from the dock.
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.
In the present article, we address the question that how important role do the Quantum Mechanic (QM) and Molecular Mechanics (MM) forces play in ligand docking on protein, via the use semi-quantum relaxation approach (SQRA) using different forces, e.g. quantum, Van der Waals and Coulomb ones, in the process of ligand - protein docking. The QM approximation is applied to calculate the QM forces of neighbor protein-atoms acting on ligands. The L-J 6-12 empirical potential model and Coulomb rule are applied to calculate the forces from the rest protein-atoms on each ligand - atom.
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