Oral health is essential for overall human well-being, with oral diseases impacting 3.5 billion people worldwide every year (WHO Report 2022). Oral microbiome is considered as the 2nd most abundant human body site with ...
Protein-ligand interactions are fundamental in regulating protein activity within cellular environments, playing a pivotal role in numerous biochemical processes. These interaction studies are important for understanding ...
Antimicrobial resistance (AMR) presents an immediate threat to public health as microorganisms evolve to resist antimicrobial drugs, leading to challenging or untreatable infections. AMR-related costs could exceed 1 trillion ...
Joshi, Piyush; Murugan, N. Arul (Advisor)(IIIT-Delhi, 2024-05-01)
Deep learning models and generative AI have revolutionized drug discovery, especially with regard to neurodegenerative diseases like Alzheimer's. The developing of canonical SMILES (Simplified Molecular Input Line Entry ...
Pathogenic fungal diseases have become a global threat to human health in immunocompromised individuals. With increasing mortality rates due to systemic infections and limited availability of antifungal classes, it is ...
In the contemporary era, anti-aging stands as a prominent research focus. Recognizing the impact of diet on aging, investigations into caloric restriction methods have emerged as a promising and effective approach in ...
Singhal, Divyanshi; Murugan, N Arul (Advisor)(IIIT-Delhi, 2024-05-01)
Parkinson's disease is a prevalent neurodegenerative disorder that affects a significant portion of the aging population worldwide. The etiology of Parkinson's disease involves the accumulation of misfolded proteins, ...
Singh, Surabhi; Murugan, N Arul (Advisor)(IIIT-Delhi, 2024-05-01)
The accurate prediction of protein stability temperatures is essential for numerous applications in bioinformatics and biotechnology. In this study, we utilized a multifaceted computational approach to develop predictive ...
Along with the remarkable success stories in the evolutionary journey of targeted cancer treatment, there are examples where the targeted therapies failed to match the expectations. There have been multiple reports of ...
The gut microbiome is intricately linked with various aspects of health and physiology, serving as both a potential diagnostic marker and therapeutic target. Understanding its mechanistic inluences on systemic processes, ...
Kaur, Parneet; Murugan, N Arul (Advisor)(IIIT-Delhi, 2024-05-01)
In recent years, there has been significant interest in using Machine Learning and Deep Learning to predict protein-ligand binding affinity. This is due to the rapid growth of the computational approaches that have evolved ...
Pharmacomicrobiomics, an emerging field at the intersection of microbiology and pharmacology, explores the intricate relationship between drug response and the gut microbiome, offering new avenues for precision medicine. ...
Kumar, Virendra; Murugan, N Arul (Advisor)(IIIT-Delhi, 2024-06-01)
Neurodegenerative diseases are one of the major problems in today's world, and Alzheimer's is one of them. The disease-associated symptoms are not diagnosed earlier, and also very few FDA-approved disease-reversing drugs ...
Singh, Shikha; Murugan, N Arul (Advisor)(IIIT-Delhi, 2024-05-01)
Scoring functions are essential to computational drug discovery since they evaluate or predict a ligand's binding affinity to its target protein. These functions rank the goodness of fit of a ligand into the binding site ...
Tyagi, Reegina; Murugan, N Arul (Advisor)(IIIT-Delhi, 2024-05-21)
In order to comprehend the functionality and stability of proteins and peptides, it is essential to forecast their folding rates. This thesis explores the construction of sophisticated machine learning (ML) and deep learning ...
This study investigates the link between the oral and gut microbiome, two highly diverse microbial communities with established connections to human health. We per formed meta-analysis on across those studies containing ...
Microbial effectors like genotoxins have been shown to play a crucial role in the pathogenesis of diseases like colorectal cancer. These effectors are agents capable of causing DNA damage within cells and are pivotal in ...