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Practical Studies for Medicinal Chemistry

An integrating approach for developing countries


Antonio Monge and C. Robin Ganellin (eds.) IUPAC, 2006

The laboratory exercises presented below are representative of the field of Medicinal Chemistry, easy to reproduce and in many cases interdisciplinary. Some of them take natural products as the work material and none of them present any difficulties with regard to their realization or to safety consideration. The exercises have been provided by university researchers from 10 countries. All have been written in English and most are also in Spanish or Portuguese. The intention is to facilitate the participation in this initiative of as many researchers as possible. This Web site is open to all readers in general, teachers and students.

A total of 41 exercises distributed over 6 chapters are available for downloading in a pdf format. The exercises may be freely reproduced provided that the name of the contributing author and the IUPAC source are always quoted.

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Chapter I - Physicochemical Properties

Exercise I.1 - Determination of Oil-Water Partition Coefficient of Mandelic Acid
  [download pdf file - 24KB]
Exercise I.2 - Determination of Hydrophobic Constants of Sulfonamide Substituents by Reversed-Phase Thin-Layer Chromatography
  [download pdf file - 100KB]
Exercise I.3 - Influence of pH and pKa on Ionization and Solubility of Drugs
  [download pdf file - 33KB]
Exercise I.4 - Simulation of the Absorption Process of Ketoconazole: The Importance of Dissolution in Biological Fluids
  [download pdf file - 84KB]
Exercise I.5 - Free Radical Scavenger Activity: Determination of the Antioxidant Profile of Bioactive Substances
  [download pdf file - 74KB]
Exercise I.6 - Determination of Physicochemical Properties of 6,7-Diaryl Pteridine Derivatives with Nematocide Activity
  [download pdf file - 63KB]
Exercise I.7 - Detection and Identification of Inter- and Intramolecular Interactions in a Series of Naphthiridines
  [download pdf file - 44KB]
Exercise I.8 - Inclusion Complex of Diazepam with Cyclodextrins in Solid Phase
  [download pdf file - 57KB]
Exercise I.9 - Determination of Specific Optical Rotation of Naproxen and its Sodium Salt
  [download pdf file - 36KB]
Exercise I.10 - Analysis of Racemic Ibuprofen and (S)-Ibuprofen by the Formation of Diastereoisomeric Derivatives
  [download pdf file - 62KB]
Exercise I.11 - Determination of the Free Salicylic Acid Concentration in Aspirin by Forming Fe+3 Complexes
  [download pdf file - 99KB]
Exercise I.12 - Hydrophobicity in Drug Design
  [download pdf file - 1.31MB]


Chapter II - Quantitative Structure-Activity Relationships

Exercise II.1 - Quantitative Structure-Activity Relationships: Fundamentals and Application of the Hansch Analysis
  [download pdf file - 218KB]
Exercise II.2 - Structure-Activity Relationship I
  [download pdf file - 95KB]
Exercise II.3 - Structure-Activity Relationship II
  [download pdf file - 76KB]
Exercise II.4 - Comparing Log P Calculations by the Ghose-Crippen and Villar Methods
  [download pdf file - 139KB]


Chapter III - Molecular Modeling

Exercise III.1 - Structural Data: The Basis for Molecular Modeling
  [download pdf file - 519KB]
Exercise III.2 - A Laboratory Course in Medicinal Chemistry Introducing Molecular Modeling
  [download pdf file - 903KB]
Exercise III.3 - Molecular Modeling with the Aid of a Computer
  [download pdf file - 225KB]
Exercise III.4 - Medicinal Chemistry and Molecular Modeling: An Integration for the Teaching of Drug Structure-Activity Relationship and the Molecular Basis of Drug Action
  [download pdf file - 366KB]
Exercise III.5 - Measurement of the pKa of Phenols and its Application to the Determination of QSAR-Related Electronic Parameters
  [download pdf file - 185KB]


Chapter IV - Toxicity Studies

Exercise IV.1 - Toxicity Screening of Therapeutic Drugs
  [download pdf file - 203KB]
Exercise IV.2 - Determination of the Cytotoxic Effects of Extracts, Fractions, or Substances, by Means of the MTT Test
  [download pdf file - 100KB]
Exercise IV.3 - Colony-Forming Assay to Determine the Effect of Extracts, Fractions, or Pure Substances on the Cell Cycle
  [download pdf file - 111KB]


Chapter V - Drug Synthesis

Exercise V.1 - Synthesis of Sulfasalazine
  [download pdf file - 29KB]
Exercise V.2 - Synthesis of a Sulfanilamide Derivative
  [download pdf file - 271KB]
Exercise V.3 - Latentiation of Sulfathiazole
  [download pdf file - 42KB]
Exercise V.4 - Synthesis of Propanolol
  [download pdf file - 85KB]
Exercise V.5 - Benzodiazepines - Part I. Isolation and Identification in Commercial Drugs
  [download pdf file - 62KB]
Exercise V.6 - Benzodiazepines - Part II. Quantification of the Active Substance in Commercial Drugs
  [download pdf file - 33KB]
Exercise V.7 - Amino Acids in the Synthesis of Triazinoquinazolinones
  [download pdf file - 87KB]
Exercise V.8 - New and Convenient Synthesis of Raloxifene
  [download pdf file - 112KB]
Exercise V.9 - Antihistamines
  [download pdf file - 35KB]
Exercise V.10 - Analgesics, Anti-Inflammatories, and Antipyretics
  [download pdf file - 39KB]
Exercise V.11 - Synthesis, Lipophilicity Determination, and QSAR Study of Chalcones and Analogs with Antitumoral Activity
  [download pdf file - 48KB]


Chapter VI - Natural Products

Exercise VI.1 - Podophyllotoxin: Sources, Extraction, and Preparation of Cytotoxic Analog Compounds
  [download pdf file - 42KB]
Exercise VI.2 - Solvatochromic Studies on Coumarins
  [download pdf file - 41KB]
Exercise VI.3 - Evaluation of Antioxidant Activity of Polyphenolic Compounds from Marine Algae
  [download pdf file - 48KB]
Exercise VI.4 - Quantitative Analysis of Menthol in Mentha Essential Oil by Gas Chromatography
  [download pdf file - 36KB]
Exercise VI.5 - Analysis of Rutin in Ruta Graveolens or Ruta Species ("Ruda") Using Chromatographic Techniques
  [download pdf file - 47KB]
Exercise VI.6 - Analysis of Flavonoids in Plants
  [download pdf file - 43KB]


The collaborators in this edition of the Practical Studies are: Prof. R. Ganellin, Dr. J. Proudfoot, Dr. M. Chorghade, Prof. P. Erhardt, Dr. J. Fischer, and Prof. C. Wermuth

We would like to express our sincere gratitude to L. Stokes and E. Berjón for the translation and organization of the original documents. We are also grateful to Dr. F. Meyers and C. Wurzbacher for their effort in establishing the web version.

<announcement published in Chem. Int. Mar-Aprl 2007, p. 21 >

For comments and questions
please contact Antonio Monge

Page last modified 25 January 2007.
Copyright ©2001-2007 International Union of Pure and Applied Chemistry.

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