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Synthesis

Equipment:

NMR-Spetroscopy:Jeol Eclipse +500
Jeol Eclipse +400
Infrared Spectroscopy:Perkin Elmer FT-IR Spectrometer 1600, PC-gesteuerte Datenerfassung
"GOLDEN GATE" Mark II Einfach-Reflexions-Diamant-ATR-Einheit
Mass Spectrometry:Hewlett Packard 5989 A Mass Spectrometer mit 59989 B Particle Beam LC/MS Interface
ApI 2000
JMS GCmate II HRMS
Gas Chromatography:Perkin Shimadzu GC-17A
Optic Rotation:Perkin Elmer Polarimeter 241 MC
UV/VIS-Spectroscopy:Perkin Elmer UV/VIS Spectrometer Lambda 20
Analytic HPLC:5 Merck-Hitachi-Anlagen z.T. Diodenarray-Detektoren
Preparative HPLC:2 Merck-Hitachi-Anlagen Fraktionssammler, Autosampler, z.T. PC-gesteuerte Datenerfassung
MPLC:2 systems (Büchi)
Radial Chromatography:2 Harrison Research Chromatotrons
Synthesizer:MultiSynTech SAS Multiple Organic Synthesizer (Halbautomat)
ACT PLS 4x6 Organic Synthesizer
Glove-Box:MecaPlex 2202
Freeze-dry unitChrist ALPHA 2-4 lösemittelfest mit Hybridpumpe RC-5
Microwave:Biotage Initiator
UV-Reaktoren:

Heraeus RS 4
Rayonet RPR 200

Working Methods:

Protective gas techique Solid phase synthesis
Analytic HPLC for the analysis of diastereomers and enantiomers
Preparative HPLC, MPLC and Rotation Chromatography


Biological Screening

Equipment:

Centrifuges:High Speed: Sorvall RC Evolution (Rotoren: SS34, SLA1000),
Heraeus Biofuge Stratos (Rotoren 4 x 100 ml; 24 x 1.5ml)UZ: Hitachi CP 56 G II (Rotoren: P70AT, P19A, P28S)
Vakuumkonzentrator: Christ Sigma RVC 2-18
Scintillation Counter:Packard Tri Carb 1600 TR, Packard microbeta
Cell Harvester:2 x Brandel M-24, 1 x Brandel MWXR-96 TI
Cooling-/Freezing Technique:Heraeus MFU86, Kryoanlage für fl. Stickstoff: Cryo-Anlagenbau RS Series 120l
Homogenisators:Braun Potter S
Kinematica Polytron PT 2000
UV-VIS Photometer (with Sipper system):Pharmacia Ultrospec Plus
Mikroscope:Olympus CK 30
Safety work bench:Herasafe
CO2-Incubator:2 x Heracell
Elektrophorese eqipment:Spannungsquelle: Consort E835
Kammern: Owl (10 x 10 cm horizontal und vertikal)
Semidryblotter:UniBlot SC
LC-MS:Agilent 1100 HPLC + Shimazu SIL-HT-A Autosampler gekoppelt an API 2000 (mit ESI- und APCI-Quelle)

Working Methods:

Radioligand binding studies
Determination of the reabsorption rate of neuro transmitters
Expression of target proteins in cell cultures
Mass spectrometric determination of affinities


Molecular Modeling:

Equipment:

Comercial Software

DiscoveryStudio LigandFit (Accelrys)
DiscoveryStudio Catalyst (Accelrys)
Sybyl, ComFA (Tripos)
Gaussian03 (Gaussian Inc.)
Jaguar (Schrödinger Inc.)

Free Software

GROMACS
PyMol
VMD
GAMESS

Working Methods:

Strukture based Molecular-Design:

Docking
Virtual Screening
Molecule dynamics calculation

Ligand-based Molecule design:

Pharmacophore-Modeling
De-Novo Design of new ligands
QSAR- and ComFA calculations

Quantum mechanics:

testing of reactive intermediate levels
assay of reaction mechanism

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