Researchers at the Indian Institute of Technology (IIT) BHU have developed a cutting-edge computational framework designed to understand how viruses evolve to resist drugs and treatments. While the tool primarily focuses on the SARS-CoV-2 virus, it also holds promise for combating other pathogens and infectious diseases.
Multi-Scale Approach Enhances Predictive Capabilities
The study, led by Dr. Aditya Kumar Padhi, Assistant Professor at the School of Biochemical Engineering, was recently published in the Biophysical Journal. The newly developed integrated multi-scale computational framework combines advanced computer-based techniques, including protein design, machine learning, hybrid quantum mechanics/molecular mechanics (QM/MM), and multi-scale simulations. This integrated method allows researchers to identify specific mutations in viral proteins that could lead to drug resistance.
Framework Aims to Predict and Prevent Future Resistance
As Covid-19 cases continue to emerge globally, this tool becomes especially relevant. By anticipating how viruses like SARS-CoV-2 may develop resistance—particularly against treatments such as sotrovimab, a monoclonal antibody—the framework offers a proactive approach to managing future outbreaks. Beyond SARS-CoV-2, the technology can be applied to diseases like cancer and urinary tract infections.
Collaborative Effort from LCBD Team
As reported by TOI, the Laboratory for Computational Biology & Biomolecular Design (LCBD) played a key role in the study. The team focused on exploring resistance mechanisms against various antiviral drugs and monoclonal antibodies. The team’s contributions have significantly advanced the understanding of viral adaptability and treatment evasion.
Global Accessibility and Alignment with National Health Goals
Dr. Padhi confirmed that plans are underway to make the framework freely accessible to scientists and healthcare professionals worldwide. The initiative supports global efforts to combat drug resistance. It also aligns closely with national health programmes such as the Integrated Disease Surveillance Programme (IDSP) and the National Programme on Containment of Antimicrobial Resistance (AMR). “We developed this framework to address complex healthcare problems using integrated computational methods. Its modular structure makes it adaptable for a wide range of biomedical challenges,” Padhi explained.
Institutional Recognition for Research Excellence
Commenting on the breakthrough, IIT-BHU Director Prof. Amit Patra stated, “This innovation demonstrates the scientific leadership of Indian institutions like IIT-BHU in addressing critical public health challenges through research and technology. It also significantly contributes to the core objectives of major Government of India programmes.”