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Drug Discovery: Overview

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...

Preclinical Development: Overview

Preclinical Development: Overview

Preclinical development consists of a series of tests that ensure the safety and efficacy of a new therapeutic compound before it is tested in humans. There are four main phases to this process. First, safety pharmacology tests are conducted to ensure the drug does not produce any acutely harmful effects. These tests examine parameters such as bronchoconstriction, cardiac dysrhythmias, blood pressure changes, and ataxia. Next, preliminary toxicological testing is performed to determine the...

Clinical Trials: Overview

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Clinical development focuses on how the drug will interact with the human body and encompasses four key phases of clinical trials, each serving a specific purpose in assessing the safety and effectiveness of new drugs. These phases overlap and build upon one another. Phase I involves a small group of healthy volunteers (typically 20-80 individuals) or, in cases where significant toxicity is expected, patients with the targeted disease, such as cancer or AIDS. The volunteers are tested for...

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Drugs, the chemical agents used in diagnosing, treating, or preventing diseases, undergo a four-phase process of development: pharmaceutic, pharmacokinetics, pharmacodynamics, and therapeutic.
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Related Experiment Video

Updated: May 24, 2026

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

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

Published on: December 11, 2016

Drug discovery and development: lessons from an undeveloped drug.

Toufigh Gordi¹

¹Rosa & Co. LLC, 751 Laurel Street, Suite 127, San Carlos, CA 94070, USA. tg@tgordi.com

Expert Review of Clinical Pharmacology

|March 7, 2012

Summary

Modern drug discovery may miss life-saving medicines like artemisinin by using strict deselection criteria. Systems pharmacology and predictive models offer a better approach for identifying successful drug candidates.

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

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Published on: December 11, 2016

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery

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Published on: May 16, 2021

Area of Science:

Pharmacology and Pharmaceutical Sciences
Drug Discovery and Development

Background:

Current pharmaceutical industry practices for drug discovery and preclinical development are examined.
The antimalarial drug artemisinin serves as a case study for a potentially overlooked therapeutic agent.
Artemisinin is a safe and effective treatment for a life-threatening disease, despite its characteristics making it unlikely for modern development.

Purpose of the Study:

To critique the efficacy of prespecified charts and undesired property lists in molecule deselection.
To propose advanced modeling techniques for improved drug candidate selection.
To enhance the probability of successful drug development and market entry for best-in-class medications.

Main Methods:

Discussion of current drug discovery and preclinical development paradigms.
Analysis of the artemisinin case study.
Proposal for the implementation of systems pharmacology, disease progression, and pharmacokinetic/pharmacodynamic (PK/PD) models.

Main Results:

Prespecified deselection criteria may lead to the exclusion of valuable drug candidates.
Systems pharmacology and PK/PD models provide a more robust framework for evaluating drug potential.
These models offer a superior approach to identifying candidates with a higher likelihood of market success.

Conclusions:

Rethinking rigid deselection strategies is crucial for uncovering innovative therapies.
Adoption of systems pharmacology and integrated modeling approaches can optimize drug candidate selection.
This strategic shift promises to increase the successful development of vital medications for patients.