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Secondary structure prediction method (SOPMA)
Secondary structure prediction method (SOPMA)

... calculations. Every component can be edited to meet your needs. You can use hydrogen, carbon, nitrogen, oxygen, chlorine and fluorine atoms. You can join those atoms using any kind of bond possible. This way you will be able to build simple or complex molecules. ...
Computer-Based Design of Novel Protein Structures
Computer-Based Design of Novel Protein Structures

... these six parameters (76). The values taken from all the superpositions can be used to construct a consensus four-helix bundle protein, or they could be used to create a large set of four-helix bundle templates. Large sets of design templates become especially useful when the design target includes ...
The epidemiology of hypertension in Hong Kong
The epidemiology of hypertension in Hong Kong

Prepared by Grant McLaren, Department of
Prepared by Grant McLaren, Department of

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Pharmacology/Therapeutics II Block II Lectures
Pharmacology/Therapeutics II Block II Lectures

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Prescribing for Pregnant or Lactating Women
Prescribing for Pregnant or Lactating Women

... To best address all of these potential concerns, recommendations for drug use during pregnancy are often criteria-based using data and results from available studies. These criteria often include: - what (if any) information is known from studies conducted in humans and/or animals - if the nature of ...
IVIVC 1. INTRODUCTION  IMPORTANCE OF IVIVC AND METHODS OF ESTABLISHING IVIVC
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PMC-AT Enzyme Engineering Research Overview.
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STUDIES ON FORMULATION AND EVALUATION OF OSMOTICALLY CONTROLLED DRUG Research Article
STUDIES ON FORMULATION AND EVALUATION OF OSMOTICALLY CONTROLLED DRUG Research Article

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Chapter 16 Cholinesterase Inhibitors
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IN-VITRO STUDIES OF EFAVIRENZ FORMULATION BY RP-HPLC Research Article
IN-VITRO STUDIES OF EFAVIRENZ FORMULATION BY RP-HPLC Research Article

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Formulation and Evaluation of Itopride Hydrochloride Floating
Formulation and Evaluation of Itopride Hydrochloride Floating

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Medicare Part D and Prescription Drug Utilization
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Facilitating adverse drug event detection in pharmacovigilance
Facilitating adverse drug event detection in pharmacovigilance

... structurally similar to those with a certain property.10 From the ADE perspective, computer-aided methods based on molecular structures are useful for pharmaceutical companies working in drug design to predict toxicological effects leading to the selection of new candidates without possible undesira ...
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Noninsulin Diabetes Medications Summary Chart

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Studies of the Biogenic Amine Transporters. 12. Identification of

... Using rat brain tissue assays, we screened these compounds for activity in binding assays for DAT, SERT, and NET (unpublished data). This effort identified several possible allosteric modulators of the BATs. We examined in greater detail the interaction of selected agents with the BATs. SoRI9804 (Fi ...
Minnesota Statutes 2016, Section 152.01
Minnesota Statutes 2016, Section 152.01

... Subd. 3. Administer. "Administer" means to deliver by, or pursuant to the lawful order of a practitioner​ a single dose of a controlled substance to a patient or research subject by injection, inhalation, ingestion, or​ by any other immediate means.​ Subd. 3a. Cocaine. "Cocaine" means coca leaves an ...
Clinical Pharmacokinetic Studies of Pharmaceuticals
Clinical Pharmacokinetic Studies of Pharmaceuticals

... medicines according to patient characteristics, such as disease and genotype of drug-metabolizing enzymes, and for predicting the influence of pharmacokinetic drug interactions. The results can also provide information for therapeutic drug monitoring (TDM). It is important to evaluate pharmacokineti ...
Immediate time course of drug effect
Immediate time course of drug effect

... it illustrates a very simple principle -- “If the dose of a drug is doubled then the duration of response will increase by one half-life.” The duration of response means the time that the drug effect is above a predefined critical value e.g. the time above 50% of Emax. With a low dose (blue lines) t ...
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Supplementary Methods

... following: The first response led to the illumination of the green cue light signaling the presence of the shock. After 3 additional responses, rats received an electric footshock (0.2 mA, 1 sec), and after the 5th response, rats received both an electric footshock (0.2 mA, 1 sec) and a cocaine inf ...
Anti-infective potential of natural products: How
Anti-infective potential of natural products: How

... order to mimic as closely as possible the traditional ‘herbal’ drug. To detect active substances present in very small quantities in the extracts, a concentration step is usually required and is based on evaporation of the solvent in vacuo. It is advised to extract and evaporate at low temperature n ...
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Drug design



Drug design, sometimes referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target. The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic benefit to the patient. In the most basic sense, drug design involves the design of molecules that are complementary in shape and charge to the biomolecular target with which they interact and therefore will bind to it. Drug design frequently but not necessarily relies on computer modeling techniques. This type of modeling is often referred to as computer-aided drug design. Finally, drug design that relies on the knowledge of the three-dimensional structure of the biomolecular target is known as structure-based drug design. In addition to small molecules, biopharmaceuticals and especially therapeutic antibodies are an increasingly important class of drugs and computational methods for improving the affinity, selectivity, and stability of these protein-based therapeutics have also been developed.The phrase ""drug design"" is to some extent a misnomer. A more accurate term is ligand design (i.e., design of a molecule that will bind tightly to its target). Although design techniques for prediction of binding affinity are reasonably successful, there are many other properties, such as bioavailability, metabolic half-life, side effects, etc., that first must be optimized before a ligand can become a safe and efficacious drug. These other characteristics are often difficult to predict with rational design techniques. Nevertheless, due to high attrition rates, especially during clinical phases of drug development, more attention is being focused early in the drug design process on selecting candidate drugs whose physicochemical properties are predicted to result in fewer complications during development and hence more likely to lead to an approved, marketed drug. Furthermore, in vitro experiments complemented with computation methods are increasingly used in early drug discovery to select compounds with more favorable ADME (absorption, distribution, metabolism, and excretion) and toxicological profiles.
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