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Virtual pharmacology for new drugs

Virtual Pharmacology Platform Can Now Identify New Drugs

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Scientists at the University of California, San Francisco (UCSF) and the University of North Carolina (UNC) have developed the largest virtual pharmacology.

The virtual pharmacology platform can be used to identify the extremely powerful new drugs. The users of virtual pharmacology platform can screen millions of compounds which were never synthesized before.

It will be having billions of virtual molecules which were never found in nature before. This platform is composed to vividly change the drug discovery. This discovery can be a game changer in the pharmaceutical industry.

The recent advancements in the atomic-scale molecular imaging and virtual pharmacology have enabled to identify the important biological chemical structures.

John Irwin, an Adjunct Associate Professor of Pharmaceutical Chemistry said, “Our platform can now screen 100 times more molecules that are available in most drug screening libraries.” Irwin further added, “Soon it will be able to screen 1000 times more. People are going to have access to a lot of new chemistry that no one has looked at before.”

Bryan L. Roth, Professor of Pharmacology said, “This kind of rapid screening of millions of potential compounds is a major step toward creating better medications for many illnesses, and in the case of the D4 receptor, psychiatric conditions.”

It has been estimated by the scientists that a large number of drug-like molecules come in contact with the atoms in the observable universe. But the new drug discovery has the database that contains fewer molecules in comparison to that.

It becomes difficult for researchers to systematically explore the vast universe of drugs to find the best for patients.

To resolve the issue Brian Shoichet and John Irwin collaborated with a chemical supplier company based in Ukraine. Their approach regarding the same has been described in a study published on February 6, 2019, in the Nature Journal.

Enamine Company has made a proficient channel to produce over a billion drug-like compounds at a cost of about $100 per molecule.

Irwin and Shoichet have joined with Enamine to start integrating the virtual catalog into the free public drug discovery database called ZINC. This database currently has over 750 million compounds which are constantly growing.

The team of researchers at the UCSF is altering millions of theoretical molecules by Enamine into three-dimensional chemical models. These molecules are compatible with a pharmacology computational approach.

The researchers are now easily capable to identify these powerful drug compounds. This has been made possible due to the ZINC platform. It enables scientists to search the wider universe of molecules.

One of the researchers has said that the pharmaceutical industry had to struggle due to lesser sets of chemical structures. But the latest discovery will enable the scientists to search for the best possible drug to treat the patient from among diverse available options.

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