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HERBAL AND DRUG DESIGN TECHNOLOGY Selma Siyavudeen
(IUPAC Recommendations 1997) ,[object Object],[object Object]
The process of drug discovery ,[object Object],[object Object],[object Object]
Drug discovery / design - steps IDENTIFICATION OPTIMISATION DEVELOPMENT FINDING A  LEAD COMPOUND / NCE QUANTITATIVE STRUCTURE  ACTIVITY RELATIONSHIPS, ASSAYS –  in vitro  and  in vivo PHARMACOKINETIC STUDIES TOXICOLOGY TESTING FORMULATION DEVELOPMENT CLINICAL TRIALS REGULATORY APPROVAL LEAD
Drug design (ligand design) ,[object Object],[object Object],[object Object],[object Object],[object Object]
sources of lead compounds  ,[object Object],[object Object],[object Object]
[object Object],[object Object],[object Object],[object Object],[object Object]
[object Object],[object Object],[object Object]
An Example of CADD: Carbonic anhydrase ,[object Object],[object Object],[object Object],[object Object]
[object Object]
CADD Advantages & Limitations ,[object Object],[object Object],[object Object],[object Object]
STEP II LEAD OPTIMISATION ,[object Object]
Synthesis of homologues and analogues from a prototype ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
design of variants  ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
QSAR ,[object Object],[object Object]
QSAR ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Step iii Lead Development ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Animal pharmacokinetic studies ,[object Object],[object Object],[object Object],[object Object],[object Object]
[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Toxicity testing
Formulation development ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Clinical trials
REVOLUTIONS IN DRUG DESIGN technology ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Advances in molecular biology-newer targets for drugs ,[object Object],[object Object],[object Object],[object Object]
Advances in recombinant DNA technology - biopharmaceuticals ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
 
Advances in genomics & Microarray Technology Drug development Tracking disease progression Disease risk assessment Genotyping Drug development Drug response Tracking disease progression Therapy development Drug mechanism of action Applications Detect mutations/polymorphisms Analysis of gene expression levels Breif description Mutation/polymorphism analysis Expression analysis Microarray type
Herbal drug design ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Historical perspective anticancer Vinca rosea vincristine anticancer Vinca rosea vincaleukoblastine Hypotensive,tranquilizer rauwolfia reserpine foxflove digitoxin cocaine cinchona quinine opium morphine
What should be the approach? ,[object Object],[object Object],[object Object],[object Object],[object Object]
Fractionation of tumor inhibitory extract ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Recent discoveries Galanthus Woronowii  Losinsk . Alzheimer”s disease Galanthamine Artemesia annua  L. Antimalarial drug Arteether  Taxus brevifolia Nutt. Camptotheca acuminata Decne. Catharanthus roseus  G.Don plant Anticancer agents properties Paclitaxel Camptothecin  Vinflunine  Drug
Papaver somniferum  L. Pain medication Morphine 6-gluconoride Calophyllum lanigerum var. austrocoriaceum Atropa belladona  L. Anti HIV drugs antiretroviral and anti mycobacterial agent , n on-nucleoside   reverse transcriptase inhibitor of type 1 HIV Effective against AZT resistant strains of HIV Chronic obstructive pulmonary disease inhaled bronchodialator Calanolide A Tiotropium
NCE s from India Coleus forskohlii  Briq. Dysoxylum binectariferum  Hook. Potent adenylate cyclase activator Semisynthetic derivative is approved for treatment of glaucoma tyrosine kinase activity and potent growth inhibitory activity against breast and lung carcinoma cell lines. Forskolin Flavopiridol
Commiphora mukul  (Stocks)Engl. Lowers serum LDL and triglyceride levels highly efficacious antagonist of FXR (farnesoid X receptor) Guggulsterone, [4,17,(20)-pregnadiene-3,16-dione]
Herbal product development ,[object Object],[object Object],[object Object],[object Object]
[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
DNA Microarray - applications
Microarray-based gene expression analysis of multi-component mixtures.
[object Object],[object Object],[object Object]
[object Object],[object Object]
Conclusion ,[object Object],[object Object]
[object Object]

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Introduction To Drug Discovery

  • 1. HERBAL AND DRUG DESIGN TECHNOLOGY Selma Siyavudeen
  • 2.
  • 3.
  • 4. Drug discovery / design - steps IDENTIFICATION OPTIMISATION DEVELOPMENT FINDING A LEAD COMPOUND / NCE QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS, ASSAYS – in vitro and in vivo PHARMACOKINETIC STUDIES TOXICOLOGY TESTING FORMULATION DEVELOPMENT CLINICAL TRIALS REGULATORY APPROVAL LEAD
  • 5.
  • 6.
  • 7.
  • 8.
  • 9.
  • 10.
  • 11.
  • 12.
  • 13.
  • 14.
  • 15.
  • 16.
  • 17.
  • 18.
  • 19.
  • 20.
  • 22.
  • 23.
  • 24.
  • 25.  
  • 26. Advances in genomics & Microarray Technology Drug development Tracking disease progression Disease risk assessment Genotyping Drug development Drug response Tracking disease progression Therapy development Drug mechanism of action Applications Detect mutations/polymorphisms Analysis of gene expression levels Breif description Mutation/polymorphism analysis Expression analysis Microarray type
  • 27.
  • 28. Historical perspective anticancer Vinca rosea vincristine anticancer Vinca rosea vincaleukoblastine Hypotensive,tranquilizer rauwolfia reserpine foxflove digitoxin cocaine cinchona quinine opium morphine
  • 29.
  • 30.
  • 31. Recent discoveries Galanthus Woronowii Losinsk . Alzheimer”s disease Galanthamine Artemesia annua L. Antimalarial drug Arteether Taxus brevifolia Nutt. Camptotheca acuminata Decne. Catharanthus roseus G.Don plant Anticancer agents properties Paclitaxel Camptothecin Vinflunine Drug
  • 32. Papaver somniferum L. Pain medication Morphine 6-gluconoride Calophyllum lanigerum var. austrocoriaceum Atropa belladona L. Anti HIV drugs antiretroviral and anti mycobacterial agent , n on-nucleoside reverse transcriptase inhibitor of type 1 HIV Effective against AZT resistant strains of HIV Chronic obstructive pulmonary disease inhaled bronchodialator Calanolide A Tiotropium
  • 33. NCE s from India Coleus forskohlii Briq. Dysoxylum binectariferum Hook. Potent adenylate cyclase activator Semisynthetic derivative is approved for treatment of glaucoma tyrosine kinase activity and potent growth inhibitory activity against breast and lung carcinoma cell lines. Forskolin Flavopiridol
  • 34. Commiphora mukul (Stocks)Engl. Lowers serum LDL and triglyceride levels highly efficacious antagonist of FXR (farnesoid X receptor) Guggulsterone, [4,17,(20)-pregnadiene-3,16-dione]
  • 35.
  • 36.
  • 37. DNA Microarray - applications
  • 38. Microarray-based gene expression analysis of multi-component mixtures.
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  • 41.
  • 42.