Table Of Content

CChhaalllleennggeess iinn AAggrroocchheemmiiccaallss DDeessiiggnn K-JSchleifer ComputationalChemistry&Biology BASFSE,Ludwigshafen BBAASSFF –– TThhee CChheemmiiccaall CCoommppaannyy 104.779employeesworldwide,33.000atLudwigshafenand>8.000inR&D 2 1 BBAASSFF´´ss PPoorrttffoolliioo Performance Functional Agricultural Chemicals Plastics Oil&Gas Products Solutions Solutions Performance Dispersions Crop Inorganics Catalysts Oil&Gas Polymers &Pigments Protection Petro- Poly- Care Construction chemicals urethanes Chemicals Chemicals Inter- Paper Coatings mediates Chemicals Performance Chemicals 3 AAggrriiccuullttuurraall SSoolluuttiioonnss CCrroopp pprrootteeccttiioonn Herbicides Insecticides Fungicides Others againstweeds againstharmful againstharmful e.g.growth insectpests diseases regulators 4 2 DDrruuggss && AAggrroocchheemmiiccaallss Efficacy & Bioavailability 5 MMooddee ooff AAccttiioonn ooff AAggrroocchheemmiiccaallss Herbicides Fungicides Insecticides LipidSynthesis NucleicAcidSynthesis NervousSystem -AcetylCoAcarboxylase -RNApolymeraseI Acetylcholinesterase -Adenosin-deaminase BranchedChainaaSynthase IonChannels -Acetolactatesynthase MitosisandCellDevision GABA-gatedCl-channels --tubulinassembly Sodiumchannelmodulators PhotosynthesisPSI/II nAChRagonists Respiration ProtoporphyrinogenOxidase nAChRallostericmodulators -Succinate-dehydrogenase nAChRchannelblocker PigmentSynthesis -Cytochromebc1(Q &Q) o i VGSCblocker -PDS AAandProteinSynthesis Ryanodinereceptormodulators -HPPD Chloridechannelactivators SignalTransduction EPSPSynthase(Glyphosate) -MAP/Histidinekinase RespirationChain MicrotubuleAssembly Mitochondrialcplx.I-Vinhibitors LipidandMembraneSynthesis CellDivision -Methyltransferase GrowthRegulators Chitinbiosynthesis CellWall(cellulose)Synthesis SterolBiosynthesis -C14demethylase NuclearReceptor AuxinTransport -14reductase Ecdysonereceptoragonists 6 3 BBiiooaavvaaiillaabbiilliittyy ooff DDrruuggss AAbbssoorrppttiioonn 7 BBiiooaavvaaiillaabbiilliittyy ooff AAggrroocchheemmiiccaallss AAbbssoorrppttiioonn –– PPllaannttss Cuticula Stomata Roots 8 4 BBiiooaavvaaiillaabbiilliittyy ooff AAggrroocchheemmiiccaallss AAbbssoorrppttiioonn –– PPllaannttss,, FFuunnggii aanndd IInnsseeccttss Cellwall Membranes Oral Chitinous Exoskeleton 9 BBiiooaavvaaiillaabbiilliittyy ooff DDrruuggss DDiissttrriibbuuttiioonn Blood 10 5 BBiiooaavvaaiillaabbiilliittyy ooff AAggrroocchheemmiiccaallss DDiissttrriibbuuttiioonn//TTrraannssllooccaattiioonn -- PPllaannttss Phloem Xylem 11 BBiiooaavvaaiillaabbiilliittyy ooff AAggrroocchheemmiiccaallss DDiissttrriibbuuttiioonn -- IInnsseeccttss dorsalartery 12 6 BBiiooaavvaaiillaabbiilliittyy ooff DDrruuggss MMeettaabboolliissmm Phase I Reaction Phase II Reaction Oxidation,Reduction,Hydrolysis Conjugationofwater-solublegroups cytochromeP450oxidases UDP-glucuronosyltransferases (CypP450) glutathioneS-transferases Humans 57genes Drosophila ~80genes Arabidopsis >300genes Blood Skin 13 BBiiooaavvaaiillaabbiilliittyy ooff DDrruuggss EExxccrreettiioonn Urine&Feces 14 7 BBiiooaavvaaiillaabbiilliittyy ooff AAggrroocchheemmiiccaallss EExxccrreettiioonn -- PPllaannttss inclusionofwasteproducts 15 TTooxxiiccoollooggyy ooff DDrruuggss 16 8 TTooxxiiccoollooggyy ooff aann IInnsseeccttiizziiddee 17 RReegguullaattoorryy rreelleevvaanntt iissssuueess ooff AAggcchheemmss EnviromentalFate Ecotoxicology Residues Soildissipation/accumulation Aquatic Residueslevel Boundresidues Honeybee,non-targetarthropods Toxicmetabolites Groundwater Non-targetplants Surfacewater Soilorganisms Air Wildlife(birds,mammals) Relevantmetabolites Bufferzones Recoveryofbiocoenoses Toxicology Biology CMRproperties Efficacy Endocrinedisruptors Croptolerance Immunotoxicity Resistancerisk Acute/Chronictoxicity Impactonfoodquality Riskforconsumer,worker,resident Impactonsucceeding&adjacentcrops Selectedformulants 18 9 BBiiooaavvaaiillaabbiilliittyy ooff AAggrroocchheemmiiccaallss SSppeecciiffiicciittyy ooff HHeerrbbiicciiddeess Crop Weed A o A o D o D o M + M -- E o E o T -- T + 19 RR&&DD PPrroocceessss Molecular Modelling Support Research Development Lead Lead Product Registration Identification Optimization Development Lead Development Dossier Product Candidate 0 1 2 3 4 5 6 7 8 9 10 Years R&Dcostperproductaround$250million(industryaverage) 20 10

Description:

GABA-gated Cl-channels. Sodium channel modulators. nAChR agonists. nAChR allosteric modulators. nAChR channel blocker. VGSC blocker Soil dissipation/accumulation. Bound residues. Ground water. Surface water. Air. Relevant metabolites. Residues. Residues level. Toxic metabolites.

Challenges in Agrochemicals Design PDF

30 Pages·2010·5.02 MB·English

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Author:	Unknown
Publication Year:	2010
Pages:	30
Language:	English
File Size:	5.02
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