{"id":616372,"date":"2024-08-08T12:17:58","date_gmt":"2024-08-08T16:17:58","guid":{"rendered":"https:\/\/www.rochester.edu\/newscenter\/?p=616372"},"modified":"2024-08-28T08:06:07","modified_gmt":"2024-08-28T12:06:07","slug":"what-is-a-ligand-meaning-pharmaceuticals-616372","status":"publish","type":"post","link":"https:\/\/www.rochester.edu\/newscenter\/what-is-a-ligand-meaning-pharmaceuticals-616372\/","title":{"rendered":"New ligand-guided technique enhances drug development"},"content":{"rendered":"

Researchers use chemical <\/strong>\u201c<\/strong>helpers\u201d called ligands to yield <\/strong>exceptionally precise <\/strong>chemical reactions.<\/strong><\/h2>\n

Achieving a level of precision to create complex medicines and materials with extreme accuracy is a longstanding goal of scientists and pharmaceutical companies. If achieved, that precision could lead to the development of more effective drug treatments.<\/p>\n

Now, scientists at the University of Rochester<\/a>\u2014led by Shauna Paradine<\/a>, an assistant professor in the Department of Chemistry<\/a>\u2014have developed a groundbreaking method to yield products by using a chemical \u201chelper\u201d to guide reactions in an extremely precise manner. The research, published in Nature Communications<\/em><\/a>, opens the door for more efficient drug development while also providing fundamental advancements in the creation of new materials.<\/p>\n

Overcoming molecular bias\u00a0<\/strong><\/h3>\n

In chemical reactions, there are often multiple ways that two molecules can come together. It is a challenge, however, for scientists to control exactly how these interactions occur. Sometimes molecules have a bias\u2014known as a substrate bias\u2014in the way they interact, preferring to react or combine in a specific way.<\/p>\n

\u201cIf you can overcome that bias, you have the ability to access configurations of your product molecules that you could not otherwise access,\u201d Paradine says.<\/p>\n

What is a ligand?\u00a0<\/strong><\/h3>\n

A ligand is an atom, ion, or molecule that binds to a central metal atom or ion. The nature of the ligands and the central metal atom can influence the properties and reactivity of the resulting complex.<\/p>\n

\"Closeup
Indoline crystals obtained in Paladine’s model reaction are pictured inside a test tube. Indolines are structures appearing in many natural products and pharmaceuticals and have been used widely in the production of cancer-fighting drugs. (University of Rochester photo \/ J. Adam Fenster)<\/figcaption><\/figure>\n

 <\/p>\n

Paradine and her team discovered a method to overcome substrate bias using a ligand, making the reaction more precise. Specifically, the ligand was able to switch the direction in which the molecules react, without altering any other part of the chemical process.<\/p>\n

The team tested many phosphorus-based ligands, which are commonly used for reactions involving palladium metal. Only one of them was able to switch the selectivity of the reaction.<\/p>\n

\u201cIt was very much like picking out a needle from a haystack,\u201d Paradine says.<\/p>\n

Transforming ligand chemistry\u2014and drug discovery\u00a0<\/strong><\/h3>\n

\u00a0<\/strong>Although the researchers used a specific ligand in one particular reaction in this study, they applied the data to create a predictive model to understand the selectivity they were observing in reactions. The model helps determine how different ligands affect a reaction, paving the way for using a ligand-centered approach in other types of chemical reactions.<\/p>\n

The research has important implications in drug discovery and development.<\/p>\n

\u201cThe products we\u2019re making contain core structures that are often found in biologically active molecules,\u201d Paradine says. \u201cIn drug discovery, it\u2019s really important to be able to finely tune a molecule to optimize its various properties.\u201d<\/p>\n

In pharmaceutical research, altering and optimizing a molecule\u2019s properties typically requires a complex amount of work. By simply changing a ligand, scientists can now get different configurations of a molecule from the same reaction.<\/p>\n

\u201cThis approach allows us to quickly and selectively create complex and useful molecules, giving us more options to explore in chemical space,\u201d Paradine says.<\/p>\n

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