Browsing by Advisor "Chandra, Nagasuma"
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Algorithms for Investigating, Decoding and Designing ligand recognition sites in proteins - A Structural Bioinformatics Approach to Studying Protein Function
All physical processes in living organisms are driven by specific biomolecular interactions. Elucidating the characteristics of biomolecular interactions between proteins and their respective small molecule ligands can ... -
Computational and Experimental Approaches to Protein Design
Protein design is a rapidly maturing field, with the goal of designing proteins with customized structures and functions. A large number of protein structures are experimentally determined, which have facilitated an ... -
Computational Studies on Structures and Functions of Single and Multi-domain Proteins
(2018-05-25)Proteins are essential for the growth, survival and maintenance of the cell. Understanding the functional roles of proteins helps to decipher the working of macromolecular assemblies and cellular machinery of living ... -
A computational systems biology approach for elucidating molecular features of primary and metastatic melanoma
Malignant melanoma, a cancer arising from melanocytes, is reported to have one of the fastest growing incidence rates worldwide, and is considered to be one of the most aggressive human malignancies. According to the ... -
Evaluating routine biochemical parameters for breast cancer detection in Indian women: A machine learning approach
Breast cancer stands as the leading cancer type among Indian women, with a mortality rate that surpasses that of nations such as the USA, Australia, and the UK. The higher mortality rate is largely explained by a lack of ... -
Graph Spectral Methods for Analysis of Protein Structures
Network representation of protein structures is an information-rich mode of examining protein structure, dynamics and its interactions with biomolecules. Graph spectral methods are extremely useful and powerful in analysing ... -
An Integrated Systems Biology Approach to Study Drug Resistance in Mycobacteria
(2018-06-23)Emergence of drug resistance is a major problem in the treatment of many diseases including tuberculosis. To tackle the problem, it is essential to obtain a global perspective of the molecular mechanisms by which bacteria ... -
Large-Scale Structural Analysis of Protein-ligand Interactions : Exploring New Paradigms in Anti-Tubercular Drug Discovery
(2018-08-13)BIOLOGICAL processes are governed through specific interactions of macromolecules. The three-dimensional structural information of the macromolecules is necessary to understand the basis of molecular recognition. A large ... -
A molecular systems approach to unravel mechanisms and targets in antifolate-resistant bacteria and cancers
Antifolates such as trimethoprim (TMP) and methotrexate (MTX) widely used for treating bacterial infections and certain cancers respectively, inhibit dihydrofolate reductase (DHFR) in the folate pathway. However, the use ... -
Multi-scale Modelling of HLA Diversity and Its Effect on Cytotoxic Immune Responses in Influenza H1N1 Infection
(2018-06-06)Cytotoxic T-lymphocytes (CTLs) are important components of the adaptive immune system and function by scanning the intracellular environment so as to detect and de-stroy infected cells. CTL responses play a major role in ... -
Multi-scale Modelling of Immune Response and Disease Spread: Methods and Applications
Diseases are multi-scale processes, with the precise combination of events at different scales both qualitatively and quantitatively dictating the final phenotype. Recognising that immune response is a key determinant of ... -
Multiple routes to tackling drug-resistant tuberculosis: Systems modeling to unravel resistance mechanisms, drug combinations, and novel host-based biomarkers
Tuberculosis (TB) has been a major public health problem. The successful treatment of TB requires long-term (6-months) multi-drug chemotherapy, but poor patient compliance and non-adherence lead to the evolution of ... -
Network models uncover key molecular perturbations in complex human diseases
Biological systems are complex networks of molecular components that function in a tightly controlled manner. Any form of perturbation in these components or their associated interactions affects the normal physiology of ... -
Structural Bioinformatics of Ligand Recognition in Proteins : A large-scale Analysis and Applications in Drug Discovery
Biological processes are governed by highly specific macromolecular interactions. Understanding the precise mechanism of ligand recognition in proteins is essential for deriving features responsible for such recognition ... -
Studies on Dynamic Plasticity of Ligand Binding Sites in Proteins
Molecular recognition between proteins and their associated ligands constitutes ligand-induced protein rewiring thereby enabling the formation of a stable protein-ligand complex. The studies presented in this thesis address ... -
Systems biology approach to dissect Salmonella-host interactions
Systems understanding of the biological data is required to capture the complex biochemical information when a pathogen interacts with its host. Such interactions are dynamic and complex, especially because various components ... -
A Systems Biology Approach towards Understanding Host Response and Pathogen Adaptation in Latent Tuberculosis Infection
(2018-01-04)Mycobacterium tuberculosis, the etiological agent of tuberculosis, has adapted with the host environment and evolved to survive in harsh conditions in the host. The pathogen has successfully evolved strategies not only to ... -
A systems-level exploration of host responses across the disease spectrum of Tuberculosis and COVID-19
The host immune system orchestrates a defense mechanism against any invading pathogen with a combination of many mechanisms including antibody production, T-cell response, and memory response. The manner and extent of host ... -
Systems-Level Modelling And Simulation Of Mycobacterium Tuberculosis : Insights For Drug Discovery
(2010-04-30)Systems biology adopts an integrated approach to study and understand the function of biological systems, particularly, the response of such systems to perturbations, such as the inhibition of a reaction in a pathway, or ... -
Towards precision medicine to detect, characterize and treat liver cancer: Large-scale data analyses using genome-wide networks
In summary, various systems biology approaches were applied to identify a potential genesignature set to monitor CLD progression which can help in the early detection of HCC. An unbiased analysis of metabolic alterations ...