Research

Research Interest

My research interests include computational molecular biophysics, analyses of biomolecular structures and structure-function relationship using model building and computational techniques, elucidation of protein folding problem, Protein-DNA interactions and modelling of RNA structures, data base analysis of biomolecules, biomolecular structure prediction. I’m also interested in structural bioinformatics.

Completed Project

1. "In-silico Characterization of Non-native Structural Ensembles of Small Proteins and Peptides and Its Implication on Protein Folding and Misfolding Processes" --- Funded by DST (2007-2010)

Ongoing projects

1. "An in-silico and in-vitro characterization of binding affinity and internalization potential of Indian SARS-CoV-2 spike protein variants with hACE-2 and identification of potential small molecules hindering the interaction" --- Funded by ICMR (2022-2024) (Role:PI)

2. "Repurposing of CNS accumulating drugs as autophagy modulators for potential treatment against glioblastoma: an in-silico, in-vitro and in-vivo study"--- Funded by ICMR (2019-2022) (Role:PI)

3. "In silico genome wide prediction of human gut microbiota derived microRNA and exploring their association with altered gene expression in host cells during cancer and cardiovascular diseases"-- Funded By DST-NSM (2021-2023) (Role: PI)

4. "High altitude-hypoxia mediates thrombosis in soldiers; modulation of autophagy as a strategy to Combat High Altitude-Hypoxia Induced Thrombosis" --- Funded by DRDO, 2019-2022 (Role: Co-PI)

5. "Enhancer of Zeste Homolog-2 Role in Glomerular Endothelial Dysfunction during Diabetic Nephropathy: Sponsored--- Funded by DBT, 2020-2023 (Role: Co-PI)

6. "Rapid, low cost fluorescent AIE-based detection of renal dysfunction from urine samples and fabrication of portable and real time device" --- Funded by DBT, (2021-2024) (Role: Co-PI)

7. "Targeting chromatin modifiers- Jumonji Histone Demethylases in tumor cells surviving acute drug stress: an in vitro and in vivo study"--- Funded by ICMR, (2021-24) (Role: Co-PI)

PhD Student supervised

As Supervisor:

1. Ashish Runthala (2016), Thesis Title: "Refinement and Improvement of Template Based Protein Modelling Algorithms".

2. Swarna Kanchan (2016), Thesis Title: "Evolution of AP Endonucleases: An In-Silico Genomic and Modelling Study".

3. Parva Kumar Sharma (2019), Thesis Title: "In-Silico Functional Annotation of Unannotated Protein-coding Gene of Arthrospira platensis NIES-39 Genome and Investigation of Proteins Involved in Nitrogen Assimilation Pathway".

4. E. Divya Niveditha (2019), Thesis Title: "An In-Silico Investigation of Sequence Features of miRNAs and its Functional Association with Cancer".

As Co-supervisor

1. Monika M. (2020), Thesis Title: "Elucidation of Alkaline Tolerance Mechanism in Arthrospira platensis NIES-39".

2. Heena Saini (2021), Thesis Title: "Exploring Therapeutic Opportunities Against Gain-Of-Function-Mutant P53 Harboring Cancer Cells Through Regulation of Protein Homeostatic machinery."

Current PhD Student

As Supervisor

1. Harshita Sharma

2. Smita Dey

3. Swarnima Kushwaha

5. Anwesha Chatterjee

6. Harsha V P

As Co-supervisor

1. Ankita Daiya

2. Neha Mathur

3. Ashima Sakhuja

BITS Pilani