Transforming Drug Discovery: Rapid and Accurate Screening

Researchers from Cincinnati Children's Hospital and the University of Cincinnati College of Medicine have developed a novel approach to increase speed and enhance the success rates of drug discovery (1^✔ ✔Trusted Source
Accelerating drug discovery and repurposing by combining transcriptional signature connectivity with docking

Go to source). The research, which was released on August 30 in the journal Science Advances, shows new hope for the development of novel drugs. Alex Thorman, PhD, a co-first author and postdoctoral fellow in the Department of Environmental and Public Health Sciences in the College of Medicine, stated, "We hope to speed up the timeline of drug discovery from years to months."

Docking Simulations to Accelerate Drug Discovery

Two methods were combined by researchers to screen possible novel drugs. Initially, tens of thousands of small molecules with possible therapeutic effects were simultaneously screened using a database from the Library of Integrated Network-based Cellular Signatures (LINCS).

To identify the compounds of interest, they added the search with specific docking simulations, which describe the interaction between small molecules and their protein targets. As a result, the task was completed in minutes rather than weeks, cutting down on the weeks needed for the initial screening.

Faster and More Accurate Drug Discovery

Thorman said this faster screening method for compounds that could become drugs accelerates the drug research process. But it’s not only speed that is crucial. He added that this newer approach is more efficient at identifying potentially effective compounds.

“And the accuracy will only improve, hopefully offering new hope to many people who have diseases with no known cure, including those with cancer,” Thorman said.

It can also create more targeted treatment options in precision medicine, an innovative approach to tailoring disease prevention and treatment that takes into account differences in people's genes, environments, and lifestyles.

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“An accelerated drug discovery process also could be a game changer in the ability to respond to public health crises, such as the COVID-19 pandemic,” said Thorman. “The timeline for developing effective drugs could be expedited.”

Reference:

1. Accelerating drug discovery and repurposing by combining transcriptional signature connectivity with docking - (https:www.science.org/doi/10.1126/sciadv.adj3010)

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Source-Eurekalert