Protein Ligand Database (PLD): additional understanding of the nature and specificity of protein-ligand complexes

نویسندگان

  • Dushyanthan Puvanendrampillai
  • John B. O. Mitchell
چکیده

SUMMARY The Protein Ligand Database (PLD) is a publicly available web-based database that aims to provide further understanding of protein-ligand interactions. The PLD contains biomolecular data including calculated binding energies, Tanimoto ligand similarity scores and protein percentage sequence similarities. The database has potential for application as a tool in molecular design. AVAILABILITY http://www-mitchell.ch.cam.ac.uk/pld/

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Synthesis and Studies of Spectral and Thermal Properties of Some Mixed Ligand Complexes of Thorium(IV) and Dioxouranium(VI) With Semicarbazones as Primary Ligand and Sulfoxide as Secondary Ligand

The present work describes the studies on the coordination behaviour of 4[N-(benzalidene) amino]antipyrine semicarbazone (BAAPS) (I), 4[N-(furfural)amino]antipyrine semicarbazone (FFAAPS) (II) and 4[N-(cinnamalidene)amino]antipyrine semicarbazone (CAAPS) (III) in presence of dimethyl sulfoxide (DMSO) or diphenyl sulfoxide (DPSO) towards Th4+ and UO22+ salts. All the complexes were isolate...

متن کامل

Interaction of Novel Ni2+, Cu2+ and VO2+ Complexes of a Tridentate Schiff Base Ligand with DNA, BSA and their Cytotoxic Activity

In this research, the interaction of [CuL(DMF)], [NiL(DMF)] and [VOL(DMF)] (where L = ((E)-4-((2-amino-5-nitrophenylimino)methyl)benzene-1,3-diol)) complexes derived from tridentate Schiff base ligand with bovine serum albumin (BSA) and DNA was investigated via electronic absorption and fluorescence spectroscopy. The Ultraviolet-Visible (UV-Vis) spectra exhibited an isosbestic point for the com...

متن کامل

Investigation the Mechanism of Interaction between Inhibitor ALISERTIB with Protein Kinase A and B Using Modeling, Docking and Molecular Dynamics Simulation

The high level of conservation in ATP-binding sites of protein kinases increasingly demandsthe quest to find selective inhibitors with little cross reactivity. Kinase kinases are a recently discovered group of Kinases found to be involved in several mitotic events. These proteins represent attractive targets for cancer therapy with several small molecule inhibitors undergoing different ph...

متن کامل

Synthesis, Characterization and Theoretical Studies of a New Macroacyclic Schiff-Base Ligand Containing Piperazine Moiety and Related Mn(II), Cu(II), Ni(II) and Cd(II) Complexes

Four new [NiH2L](ClO4)2 (1), [CuH2L](ClO4)2 (2), [MnH2L](ClO4)2 (3) and [CdH2L](ClO4)2 (4), complexes were prepared by the reaction of a new Schiff base ligand and Cu(II), Ni(II), Mn (II) and Zn (II) metal ions in equemolar ratios. The ligand, H2L was synthesized by reaction of 1, 4- bis (2- formylphenyl) piperazine and ethanol amine and characterized with IR and 1H,13C NMR spectroscopy. All co...

متن کامل

Tacrine-Flavonoid Quercetin Hybride as a MTDL Ligand against Alzheimer’s Disease with Metal Chelating and AChE, BChE, AChE-induced Aβ Aggregation Inhibition Properties: A Computational Study

AChE is an enzyme that is predominate in a healthy brain, while BChE is considered to play a minor role in regulating the levels of ACh (memory molecule) in the brain. In addition to setting the ACh level, these two enzymes also facilitate Aβ aggregation by forming stable complexes and participate in the abnormal phosphorylation of the tau protein, which also contribute to the development of Al...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:
  • Bioinformatics

دوره 19 14  شماره 

صفحات  -

تاریخ انتشار 2003