Isostere PowerPoint PPT Presentations

Neuraminidase post-mortem. Although this is a another. success, there is a caveat: ... HIV RT post-mortem. Only a single, but invariant, short-range electrostatic ...

Classical Electrostatics and Drug Design: Enumeration and Evaluation of Isosteric Analogs ... Gimble (PB Electrostatics) picks up the critical SAR ...

We want to have setailed information on important. parameters like: ... Find KA from isostere: HOW? IC. T. IC-5 /42 Lecture-8 18-11-2004. 2. Order Adsorption ...

Alternatively, a known agonist or substrate can be structurally modified to make ... antipruritic (anti-itch) activity. Ring-Chain Transformations. Isosteres ...

Drug activity (functional assay) EC50, ED50, IC50. Drug binding (binding ... H isostere: F. If you change an O to CH2 - sterics same, but no dipole or lone pair ...

Statistical frequency = 1 in 46 or 1/4096 ... New clamp at the scissile phosphate. Isosteric substitution retains symmetry. Adaptive Binding ...

Lead Optimization) Dissection & shearing Association Local manipulation

X.Q.Lewell et al. J.Chem.Inf.Comput.Sci. 38 (1998) 511. * Siehe auch C.S.Siebert Ch.i.u.Zeit 38 (2004) 320 Benzol = Thiophen (S entspricht r umlich C=C) ...

Structurally non-specific action results from accumulation of a drug in some ... Structural features of drugs and their pharmacological activity Stereochemistry: ...

ALTERATION OF PHYSICOCHEMICAL PROPERTIES BY INTRODUCTION OR ... Halogen. Catechol. 24. NONCLASSICAL. BIOISOSTERES. Exchangeable Groups. Thioether. Thiourea ...

Drug Design Optimizing Target ... based drug design Procedure Crystallize target protein ... activity Crystallise a promising analogue with the target protein and ...

Synthetic compounds consisted of an N1 alkylated 1,4-dihydro-4-oxo-3 ... action of nalidixic acid and its congener is the result of the inhibition of DNA synthesis. ...

Drugs Acting on CNS -

The Organic Chemistry of Drug Design and Drug Action Chapter 3 Receptors 1878 Langley Study of antagonistic action of alkaloids on cat salivary flow suggests the ...

DESIGNING CARRIER-LINKED PRODRUGS. Carrier-mediated prodrugs are designed with ... Generation of a toxic metabolite from the 'inert' carrier moiety. ...

Chapter 14 Pharmacokinetics Getting a drug to the target in the body Dopamine Useful in treating Parkinson s Disease Too polar to cross cell membranes and BBB ...

Ex: effexor XR, lexapro, zoloft, prozac, wellbutrin XL. SSRI's: What is known: 5-HT at: ... 10: Lexapro, Forest, $2.10 billion. Serotonin selective reuptake inhibitor ...

SAR Antidiabetic Agents X = O, S, or N

Fewer than five H-bond donating functions. Fewer than 10 H-bond ... Increase hydrophobicity, decrease water solubility. Increase conformational flexibility ...

Drug Discovery, Development, and Design. Chapters 9, 10, and 12. History ... 2.23 meperidine (Demerol) 2.24 dextropropoxyphene (Darvon) 2.25 methadone. back ...

Patrick An Introduction to Medicinal Chemistry 3/e Chapter 19 CHOLINERGICS, ANTICHOLINERGICS & ANTICHOLINESTERASES Part 1: Cholinergics & anticholinesterases

WABE: Sudoku for Chemists. MGMS Meeting, Dublin, September 2005. Shapes of molecules ... 'Simple, Intuitive Calculations of Free Energy of Binding for Protein ...

Variation of Ring Size and Structure. 4. Change in substitution pattern ... 2.23 meperidine (Demerol) 2.24 dextropropoxyphene (Darvon) 2.25 methadone ...

Reveal the affinity and effective concentration of a series of drug analogs ... Substrate or drug binding to the receptor induces 3 dimensional conformational ...

Reactive gas adsorption What can be measured using this technique? ... BET surface area, pore size distribution, true density, tapped density.

Chapter 13. Drug Design and Discovery Drug Discovery Clinical Trials Drug Discovery Drug Discovery Without a Lead Lead Discovery High-throughput Screens (HTS) Lead ...

HIV

V8 Protein-Liganden-Wechselwirkung anschaulich betrachtet Beispiele f r Protein-Liganden Komplexe Wo ist das aktive Zentrum? (Docking wird hier nicht behandelt ...

Patrick An Introduction to Medicinal Chemistry 3/e Chapter 13 QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS (QSAR) 10. Free-Wilson Approach The biological activity of ...

The manner in which chemical compounds recognize each other has far reaching ... Since material property is closely linked to the alignment of the fundamental ...

The Organic Chemistry of Drug Design and Drug Action Chapter 3 Receptors 1878 Langley Study of antagonistic action of alkaloids on cat salivary flow suggests the ...

Heterogeneous catalysis Lec 9 week 12

Two parts to successful model building

Named after natural products showing receptor selectivity ... Selective for muscarinic receptors over nicotinic receptors ... Selective for the muscarinic receptor ...

Co-leader NM-MLSCN Chemistry Team. PI, New Mexico IDeA Network of Biomedical Research ... Synthesis: Curcumin libraries Resveratrol libraries ...

At present, anti-HIV drugs are aimed at two targets: reverse transcriptase and HIV protease. ... Nucleoside/Nucleotide Reverse Transcriptase Inhibitors ...

Advanced Medicinal Chemistry Lecture 3: Molecular Interactions and Drug Potency Barrie Martin AstraZeneca R&D Charnwood Advanced Medicinal Chemistry Barrie Martin ...

The Organic Chemistry of Drug Design and Drug Action Chapter 5 Enzyme Inhibition and Inactivation Enzyme Inhibition and Inactivation Categories of Enzyme Inhibitors ...

NRTIs are sometimes called the

Measure the current room temperature. Do not discuss your results with your ... In a dry adiabatic process potential temperature doesn't change, thus entropy is ...

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* * Biosynthesis of Indole Alkaloids Indole indole ... Indole alkaloid Indole ...

Present study was performed so as to compare adsorptive removal efficiencies of low-cost adsorbent rice husk ash (RHA) and commercial granular activated carbon (GAC) for the removal of bisphenol-A (BPA), an endocrine disrupting chemical, from aqueous solution. Effect of variables such as initial concentration (C0), adsorbent dose (m), temperature (T), pH, and time (t) were studied. Optimized values at C0 = 100 mg/L were found to be: m = 30 g/L, t = 3 h for RHA whereas for GAC, optimum values were: m = 20 g/L and t = 2 h. Pseudo-second-order model best represented the adsorption kinetic data; and Freundlich and Temkin models best fitted the isotherm data. The adsorption of BPA onto GAC and RHA was found to be endothermic in nature. Value of change in entropy and enthalpy for BPA adsorption onto RHA was found to be: 21.38 J/mol K and 0.335 kJ/mol, respectively. Respective values for BPA adsorption onto GAC were found to be: 29.6 J/mol K and 4.03 kJ/mol, respectively

5) Rate processes in adsorption and simple design methods for fixed bed ... 29 dyne/cm ; vL = 89 cm3/mole =0 thus cos =1. r=50 P/P0 = 0.67. r=500 P/P0= 0.96 ...

Prodrugs and Drug Delivery Systems. Prodrug - a pharmacologically inactive compound that is converted to an active drug by a metabolic biotransformation

Regulation of biological activity through protein dimerization: Crystallographic analyses of primiti

ATMS 305 Atmospheric Thermodynamics and Statics. Today's lecture topics: ... http://www.hgtv.com/hgtv/ah_personal_care_safety/article/0,,HGTV_3149_13906 64,00. ...

What does the transition state of the neuraminidase-catalyzed reaction look like? Homework Questions: Describe the methods used for diagnostic testing for HSV.

Lack of selectivity, leading to toxicity ... affinity and selectivity of interaction with ... a DNA sequence-selective vector. New distamycin-derived mustards ...

Antiepileptic Drugs Gisvold s book Barbiturates Hydantoins Oxazolidinedienos Succinimides Phenacemides Glutethemides Miscellaneous Benzodiazepines ...

... was officially adopted by the International Commission for the Exploration of ... These curves portray the temperature changes that occur upon a saturated air ...

HIV reverse transcriptase. Active site directed inhibitors are nucleoside chain terminators ... HIV Reverse Transcriptase. Combination of polymerase and RNAase ...

Hilton Klein, Larry Handt. Antiviral & Vaccine Research. Daria Hazuda, Pete Felock, Abigail Wolfe, Kara Stillmock, Marc Witmer, Mike Miller, ...

Clavulanic acid is an antibiotic isolated from Streptomyces clavuligeris. Structurally it is 1-oxapenam lacking the 6-acylamino side chain of penicillin, ...

DRUG DESIGN (AN OVERVIEW) APPAJI B MANDHARE, Ph.D. TORRENT RESEARCH CENTRE (Gandhinagar, India) appajimandhare@torrentpharma.com Pharmaceutical R&D A Multi ...

Metabolic Changes of Drugs Books: 1. Wilson and Gisvold s Textbook of Organic Medicinal and Pharmaceutical Chemistry 11th ed. Lippincott, Williams & Wilkins ed.