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Related Concept Videos

Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

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.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...
Biopharmaceutical Factors Influencing Drug Product Design: Overview01:22

Biopharmaceutical Factors Influencing Drug Product Design: Overview

Rational drug product design integrates knowledge of the drug’s physicochemical properties, formulation components, manufacturing techniques, and intended route of administration. Each factor influences the drug’s performance, including how it is released, absorbed, and eliminated in the body.The physicochemical properties of a drug—such as solubility, stability, and particle size—affect its compatibility with excipients and the choice of dosage form. Excipients, though pharmacologically...
Drug Discovery: Overview01:26

Drug Discovery: Overview

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...
Pharmacokinetic–Pharmacodynamic Relationship: Problems01:24

Pharmacokinetic–Pharmacodynamic Relationship: Problems

The empirical approach to drug therapy optimization relies on correlating pharmacological response with administered dosage. Such an approach can be costly, time-consuming, and often yields poor correlation due to variables like formulation factors and drug elimination characteristics. A more precise approach correlates response with plasma drug concentration or the amount of drug in the body, rather than dosage. This is achieved through pharmacokinetic-pharmacodynamic (PK/PD) modeling, which...
Rational Dosage Regimen: Maintenance Dose and Loading Dose01:24

Rational Dosage Regimen: Maintenance Dose and Loading Dose

A rational dosage regimen considers a drug's pharmacokinetics, including its absorption, distribution, metabolism, and elimination from the body. By understanding these factors, the appropriate dosage can be determined, and the dosing schedule can be designed to achieve and maintain the desired therapeutic effect while minimizing adverse effects.
In most cases, drugs are administered repetitively or infused continuously to maintain a steady-state concentration in the body. At a steady state,...
Drug-Receptor Interactions01:29

Drug-Receptor Interactions

Drug-receptor interaction describes the binding of receptors by drugs, but not all drug-receptor interactions result in activation and tissue response. For instance, the binding of agonists activates the receptor to generate a cellular reaction, while antagonists bind to receptors without causing their activation.
Several parameters, such as the drug's affinity for its receptor and its efficacy, which is its ability to activate the receptor, determine the drug's effect on the tissue.

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Related Experiment Video

Updated: May 13, 2026

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
05:10

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

What to expect from rational drug design.

Matthias Adam1

  • 1Bielefeld University, Institute for Science and Technology Studies, Nauheimer Street 7, 50969 Köln, Germany +49 221 3776 ; +49 221 3776 112 ; apfel.birne@web.de.

Expert Opinion on Drug Discovery
|March 16, 2013
PubMed
Summary

Rational drug design uses structural information and computational modeling for drug development. Integrating this with high-throughput screening is key, but its link to systems biology approaches needs further study.

Area of Science:

  • Drug discovery and development
  • Computational chemistry
  • Structural biology

Background:

  • Rational drug design (RDD) has been central to drug development for over two decades.
  • RDD leverages structural knowledge of protein targets and computational modeling for predicting drug-target interactions.
  • Despite its promise for innovative drugs, translating structural information into effective lead design remains challenging.

Purpose of the Study:

  • To highlight the ongoing challenges in rational drug design.
  • To discuss the increasing integration of RDD with high-throughput screening (HTS).
  • To identify the need for specifying the relationship between RDD and systems-oriented approaches.

Main Methods:

  • Review of established rational drug design principles.

Related Experiment Videos

Last Updated: May 13, 2026

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
05:10

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

  • Analysis of the interplay between structural data, computational modeling, and experimental screening.
  • Exploration of emerging systems biology concepts in drug discovery.

    • Main Results:

    • Rational drug design, while foundational, faces hurdles in practical lead optimization.
    • High-throughput screening is increasingly complementing RDD to overcome these limitations.
    • The integration of systems-oriented approaches with RDD is not yet clearly defined.

    Conclusions:

    • Effective drug development requires a synergistic approach combining rational design, high-throughput screening, and potentially systems biology.
    • Further research is needed to elucidate how systems-oriented strategies can enhance the rational drug design process.
    • Optimizing drug discovery pipelines necessitates a clear understanding of the evolving methodologies in the field.