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Related Concept Videos

Drug Discovery: Overview01:26

Drug Discovery: Overview

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Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
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Structure-Activity Relationships and Drug Design01:28

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Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
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Prescription drugs require a prescription from a medical practitioner and can only be obtained from a pharmacy. They have many applications, including treating pain, anxiety, and hypertension.
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Prodrugs01:30

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Prodrugs are a class of pharmaceutical compounds that undergo a biotransformation process within the body to be converted into a pharmacologically active drug. Prodrugs are designed to improve the therapeutic properties of the parent drug, such as enhancing bioavailability, increasing stability, or reducing toxicity. The concept of prodrugs revolves around modifying the chemical structure of the original drug to make it more effective or convenient for administration.
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Drug Elimination: Non-Renal Routes01:23

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The liver plays a pivotal role in eliminating drugs and their metabolites, primarily through a process known as biliary excretion. This process involves the hepatocytes, the primary cells in the liver that generate bile. A range of transporters actively expels polar drugs or hydrophilic drug metabolites into the bile, which transports the drugs and metabolites into the small intestine. From here, they are eventually expelled from the body through feces. In some instances, the original drug or a...
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Drug Delivery: Overview01:16

Drug Delivery: Overview

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The selection of a drug's delivery route depends upon its physicochemical properties, including lipid or water solubility and ionization, as well as the therapeutic requirement, such as immediate or sustained effect. These routes can be divided into three primary categories: enteral, parenteral, and topical.
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Related Experiment Videos

Lead optimization in the nondrug-like space.

Hongyu Zhao1

  • 1R4CP, Global Pharmaceutical Research and Development, Abbott laboratories, 100 Abbott Park Road, Abbott Park, IL 60064, USA. zhao_hongyu@hotmail.com

Drug Discovery Today
|December 15, 2010
PubMed
Summary
This summary is machine-generated.

Drug-like space is denser with oral compounds, but optimization can occur outside it. The dynamic oral drug space may expand with new targets and tools, potentially altering the role of drug-likeness in discovery.

Related Experiment Videos

Area of Science:

  • Medicinal Chemistry
  • Drug Discovery
  • Computational Chemistry

Background:

  • Drug-likeness is a concept used to guide the selection of compounds in drug discovery.
  • Orally available compounds are a subset of chemical space with specific properties.
  • Lead optimization aims to improve the pharmacological profile of drug candidates.

Purpose of the Study:

  • To analyze the relationship between drug-like space and orally available compounds.
  • To investigate the dynamics of oral drug space versus static drug-like space.
  • To understand how evolving lead optimization protocols impact the role of drug-likeness.

Main Methods:

  • Analysis of chemical space and compound distribution.
  • Literature review on drug discovery trends and optimization strategies.
  • Comparative assessment of exploration within and outside traditional drug-like space.

Main Results:

  • Drug-like space is more densely populated with orally available compounds.
  • Oral drug space is more dynamic and potentially expanding compared to drug-like space.
  • Optimization outside drug-like space can be viable for specific targets.

Conclusions:

  • While drug-like space is a useful starting point, it should not be the sole focus for oral drug discovery.
  • The evolving nature of drug discovery necessitates flexibility in exploring chemical space.
  • Understanding the dynamics of oral drug space is crucial for efficient lead optimization.