Researchers at IIT Delhi design new strategy for drug molecule development

Researchers from the Indian Institute of Technology (IIT) Delhi have designed and demonstrated a new strategy for developing potential drug molecules for the treatment of various diseases.

According to the research team, they used organic chemistry and biophysics tools to design molecules that target the protein interface.

“Drugs are mainly organic molecules that interact with molecules present in the human body. Molecules in the body are larger in size and are generally called macromolecules. These molecules are either proteins or nucleic acids. Currently, the discovery A computer-aided drug rationale is used to find a target molecule for a particular protein target, yet it takes a long time,” said V Haridas, a professor in the Department of Chemistry at IIT Delhi.

“Researchers have developed a chemical strategy based on macromolecular mimicry. Molecules have shapes just like objects. Designing and synthesizing molecules of various shapes is an art in itself. small, uniquely shaped molecules is an approach taken by the research group,” he added.

They developed a universal preferred scaffolding approach for designing a variety of inhibitors. The universal scaffold could be converted into a specific inhibitor for a given protein-protein interaction (PPI), making the drug design approach relatively easier.

“We used this strategy to design drug molecules, which could be useful for the treatment of Japanese encephalitis virus (JEV), the leading cause of viral encephalitis in Southeast Asian countries, and protein aggregation diseases such as Alzheimer’s disease… We have also patented the JEV Inhibitor Drug Molecule,” Haridas said.