Užitočné linky pre výskum a výuku v MCH.

 

Databáza liekov v SR cez LIEK INFO je tu a tiez cez ŠUKL je tu
vyhladávanie ide cez ATC code (Anatomical Therapeutic Chemical (ATC) Classification System), uvádza ho aj napr. Wikipedia

 

Tabuľky s pKa hodnotami stiahnete pdf tu, alebo on-line

viac heterocyklov stiahnete pdf, alebo on-line tu,
Bordwell pKa Table(Acidity in DMSO) link tu

pKa of drugs (pdf) (20.4.2014)

ZOZNAM SPRAVNYCH SKRATIEK VEDECKYCH CASOPISOVnajdete tu

Databazaspektier  (NMR,IR,ESR,MS)

http://sdbs.riodb.aist.go.jp/sdbs/cgi-bin/direct_frame_top.cgi

Spektrá niekedy zverejnuje aj Sigma-Aldrich na ich strankach pri danej chemikalii prekliknite zalozku safety and documentation a tam nalavo su ponuknute spektra

napr.

http://www.sigmaaldrich.com/catalog/product/aldrich/b81255?lang=en&region=SK

http://www.sigmaaldrich.com/spectra/fnmr/FNMR011371.PDF

 

Human Kinome link, Iteractive human kinome link,

 


 

MCH Časopisy:
JNCI (IF = 14.3) highly cited papers in 2012,
Open Journalof Medicinal Chemistry free access to papers, publishing has to be paied, not yet registered by WOK IF
ANGIOGENESIS (IF=6.188)
CURR MOL MED (Bentham IF=5.212)
MOL PHARMACEUT (ACS, IF=5.400)
J MED CHEM (IF=5.207)
CURR PHARM DESIGN (IF=4.774)
CURR MED CHEM (IF=4.630)
CURR TOP MED CHEM (IF=4.112)
EUR J MED CHEM (IF=3.193)
ACS MED CHEM LETT (IF= not published yet, new journal)
INVEST NEW DRUG (SPRINGER, IF=3.007)
BIOORGAN MED CHEM (IF=2.978, April 2012)  link to BMCH journal
significant scientific advancement, 4-6 weeks to be published after submission
full original research papers and critical reviews on molecular interactions in key biological targets such as receptors, channels, enzymes, nucleotides, lipids and saccharides. The aim of the journal is to promote a better understanding at the molecular level of life processes, and living organisms, as well as the interaction of these with chemical agents. A special feature will be that colour illustrations will be reproduced at no charge to the author, provided that the
Please submit your article via http://ees.elsevier.com/bmc
Do not use the wordprocessor's options to justify text or to hyphenate words.
Divide your article into clearly defined and numbered sections. Use the numbering also for internal cross-referencing: do not just refer to 'the text'.
Journal abbreviations source Journal names should be abbreviated according to
Journal titles should be abbreviated according to American Chemical Society guidelines
Index Medicus journal abbreviations: http://www.nlm.nih.gov/tsd/serials/lji.html;
List of title word abbreviations: http://www.issn.org/2-22661-LTWA-online.php;
CAS (Chemical Abstracts Service): http://www.cas.org/sent.html.
Scientific articles:
1. Barton, D. H. R.; Yadav-Bhatnagar, N.; Finet, J.-P.; Khamsi, J. Tetrahedron Lett. 1987, 28, 3111.
Books with editor:
2. Doe, J. S.; Smith, J. J. In Medicinal Chemistry; Roe, P., Small, J. K., Eds.; Pergamon: Oxford, 1990; Vol. 1, pp 301 383.
Books without editor:
3. Doe, J. S.; Smith, J. J. Bioorganic Chemistry; Pergamon: Oxford, 1990, Chapter 6.
Theses:
4. Doe, J. S. Ph.D. Thesis, University of California at San Diego, January 2000.
Patent/Chem. Abstract:
5. Lyle, F. R. U.S. Patent 6,973,257, 1995; Chem. Abstr. 1995, 123, 2870.
 
EUR J PHARMACOL (IF=2.737)
MINI-REV MED CHEM (IF=2.622)
VASC PHARMACOL (Elsevier, IF=2.174)
ANNU REP MED CHEM (IF=1.717)
MED CHEM (IF=1.603)
FUTURE MED CHEM (IF=1.424)
MED CHEM RES (IF=1.058)
INDIAN J CHEM B (IF=0.562)
 
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Summer schools in MedCHEM
2014 Sept 17-19, 7th Summerschool "Medicinal Chemistry" link
BIOLOGY Webster URLs: BiologyTerms,    Biology-OnlineDictionary,   BiologyMerriamWebster
MCH Databases:Protein Data Bank (RCS), ZINC, search ZINC, PubChem, e-Molecules, DrugBank, ChemSpider, FDA DRUGS (USA), DurgBank,Anticancer Screen Data Search(NCI USA), The most prescribes drugs (USA), TheBindingDB, drug utilization statistics (WHO, Norway), FDA drug database, Ki Database, PDBbind Database(databáza o vazbovych udajov ligandov z PDB),Open PHACTS(DB farmakologických údajov, beta verzia prístupná od oktobra 2012, viac infov pdf subore)
 
PREDIKCIE ADMET VLASTNOSTI eADMET GmbH   OCHEM property predictions: logP, water solubility and melting point for free here
BIOL Databases: UNIPROT, (e.g. protein sequences), NCBI (Nat. Center for Biotech. Inf.)
Molecular biology:(biomolekuly a ich funkcia): Protein Focus (from European Bioinformatics Institute), from PDB (archív), Human Kinome link, Iteractive human kinome link,
MCH Convertors:OpenBabel, CORINA (2D / 3D), IC50-to-Ki converter,
one to three AA letter

BIOL Calculators:Protein Calc (e.g. sequence / kDa, pI...), MS calculator:MS ISOTOPIC CALC,
e-ADMET calc., 
MCH Software:Discovery Studio Visualizer 3.0 (free),
Biological services: Sino Biological
Creative Biogene (provider of genomics and proteomics products and services, nucleic acid, protein and antibody based research reagent products and services)
Biological Assays:DTP NCI (free: CC60, HIV), ANALIZA (ADME), Essen Bioscience (USA, UK, Japan), ProQuinase (GE)
Protein Exprimation:PROTEINKINASE (GE),
Other Databases:Science Direct (Elsevier), Reaxys (Beilstein), SciFinder Scholar (ChemAbstr, ACS), Scopus (Elsevier), WOK (ISI), SpectralDB (SDBS), Chem with Pharma Act (), Clinical Trials (NIH USA), Scientia (CVTI, SR, vedecke inf.) 
Inhibitors: SellectChem,
Grant supporters:APVV, VEGA, 7FP,
Organisations:SCHS (Slov Chem Spol), ACS (Am Chem Soc), FDA (USA), NCI (USA), SAV, SlovBiotech,
Fy-ch data:NOMOGRAF(b.p./pressure),
Pharma CompaniesPfizer (USA, SK), Johnson & Johnson (USA), GalxoSmithKline (UK, SK), Bayer (USA, SK), Amgen(USA), Eli Lilly (USA), TEVA (Israel), Sanofi-Aventis (FR, SK), Zentiva (Sanofi-aventis group, SK), PLIVA (Teva Group), Merck (USA),
Názvoslovie heterocyklov: FusedHeterocyclicSystems,
INTERNETOVY CHEMICKY VYHLADAVAC: iScienceSearch,
Toxicita:  ALTHOTAS(P-glycoprotein, BCRP (ABCG2), CYP450, Albumin, Tubulin binding predictions) lit.,
PROTECTING GROUPS: protecting groups
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