This tool developed by IIT-BHU scientists can tackle drug-resistant viruses
What's the story
The Indian Institute of Technology (IIT) BHU, Varanasi, has developed a groundbreaking framework to study how viruses evolve and evade drugs. The research was led by Aditya Kumar Padhi, an Assistant Professor at the School of Biochemical Engineering. The study was published in the prestigious Biophysical Journal and focuses on SARS-CoV-2 but it can also be applied to other pathogens and infectious diseases.
Framework details
Integrated multiscale computational framework: A closer look
The new tool, dubbed "integrated multiscale computational framework," employs a range of sophisticated computer-based techniques. These include protein design, machine learning, hybrid quantum mechanics/molecular mechanics (QM/MM), as well as multiscale simulations to analyze viral evolution. It helps detect mutations or alterations in viral proteins that could make drugs less effective. The discovery comes as COVID-19 cases are once again surging in India and worldwide due to new variants.
Prediction capabilities
Potential to predict viral resistance
As the virus begins to mutate rapidly, this framework may help anticipate how it might resist treatments in the future. While the current study is focused on resistance to sotrovimab, a monoclonal antibody used against SARS-CoV-2, the framework also applies to other diseases, including cancer and urinary tract infections. The team at Laboratory for Computational Biology and Biomolecular Design (LCBD) contributed significantly toward understanding resistance mechanisms against several antiviral drugs and monoclonal antibodies.
Accessibility plans
Framework to be made freely accessible
Padhi has announced plans to make this framework freely accessible to scientists and doctors worldwide. The move is aimed at supporting the global fight against drug resistance, especially in resource-limited regions. The research also supports India's national health programs like the Integrated Disease Surveillance Programme (IDSP) and the National Programme on Containment of Antimicrobial Resistance (AMR), both aimed at improving pandemic preparedness in the country.