IIT Roorkee researchers discover antiviral molecules for treating Covid-19/SARS-COV2 virus – Times of India
Indian Institute of Technology Roorkee (IIT Roorkee) Researchers have identified anti-viral molecules that can be used effectively to treat Covid-19 infections. The researchers identified three such antiviral molecules through drug repurposing, computational and antiviral experimental studies.
The Covid-19 pandemic spurred both computational and experimental studies all over the world to understand the structure and nature of SARS-COV-2 viral proteins and develop vaccines and cures for it. One important branch of study is structure-function studies to unravel the atomic structures of the virus and its proteins that constitute the virus.
These studies have resulted in the availability of a ‘Protein Data Bank,’ a repository of the structures of proteins and viruses. This PDB databank is used by researchers globally for drug discovery. The IIT Roorkee team is executing protein structure-based drug-repurposing research on SARS-CoV2 molecules for clinical evaluation and eventual use as antiviral therapeutics.
The research team was led by Professor Shailly Tomar, department of Biosciences and Bioengineering, IIT Roorkee. Speaking on the importance of such research, Professor KK Pant, director, IIT Roorkee, said, “Such research into SARS-COV-2 virus is critical not only to deal with COVID-19 pandemic but also prepare for any new variants and future pandemics as well. This research can provide valuable inputs to the scientific community to understand such viruses and develop vaccines.”
The IIT Roorkee team used the Protein Data Bank to target and identify drug molecules for the COVID-19 virus. They focused on discovering molecules that acted on a specific part of the viral proteins called the nucleotide-binding pockets (NBPs). As the name suggests, the NBP binds to the nucleotides – the building blocks of RNA and DNA – and help in the replication of the virus. NBP-targeting drugs are known and used for viral diseases such as HIV, hepatitis B, hepatitis C, and herpes, among others.
The team identified the six NBPs using the atomic structures available in the Protein Data Bank. The team used a novel approach of multi-targeting various virus-specific proteins using one drug, instead of targeting only one virus-specific protein. This novel multi-targeting approach is expected to be therapeutically highly effective and is less likely to result in resistant variant strains.
Additionally, the team used the drug repurposing strategy for the discovery of new anti-SARS-CoV2 molecules from already approved or existing drugs. IIT Roorkee team using a drug repurposing approach discovered INCB28060, which is a cancer drug; Darglitazone, an anti-diabetic molecule; and Columbianadin, a natural phytochemical with anti-inflammatory and anti-cancer effects – against the Covid-19 virus.
The Covid-19 pandemic spurred both computational and experimental studies all over the world to understand the structure and nature of SARS-COV-2 viral proteins and develop vaccines and cures for it. One important branch of study is structure-function studies to unravel the atomic structures of the virus and its proteins that constitute the virus.
These studies have resulted in the availability of a ‘Protein Data Bank,’ a repository of the structures of proteins and viruses. This PDB databank is used by researchers globally for drug discovery. The IIT Roorkee team is executing protein structure-based drug-repurposing research on SARS-CoV2 molecules for clinical evaluation and eventual use as antiviral therapeutics.
The research team was led by Professor Shailly Tomar, department of Biosciences and Bioengineering, IIT Roorkee. Speaking on the importance of such research, Professor KK Pant, director, IIT Roorkee, said, “Such research into SARS-COV-2 virus is critical not only to deal with COVID-19 pandemic but also prepare for any new variants and future pandemics as well. This research can provide valuable inputs to the scientific community to understand such viruses and develop vaccines.”
The IIT Roorkee team used the Protein Data Bank to target and identify drug molecules for the COVID-19 virus. They focused on discovering molecules that acted on a specific part of the viral proteins called the nucleotide-binding pockets (NBPs). As the name suggests, the NBP binds to the nucleotides – the building blocks of RNA and DNA – and help in the replication of the virus. NBP-targeting drugs are known and used for viral diseases such as HIV, hepatitis B, hepatitis C, and herpes, among others.
The team identified the six NBPs using the atomic structures available in the Protein Data Bank. The team used a novel approach of multi-targeting various virus-specific proteins using one drug, instead of targeting only one virus-specific protein. This novel multi-targeting approach is expected to be therapeutically highly effective and is less likely to result in resistant variant strains.
Additionally, the team used the drug repurposing strategy for the discovery of new anti-SARS-CoV2 molecules from already approved or existing drugs. IIT Roorkee team using a drug repurposing approach discovered INCB28060, which is a cancer drug; Darglitazone, an anti-diabetic molecule; and Columbianadin, a natural phytochemical with anti-inflammatory and anti-cancer effects – against the Covid-19 virus.
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