Department of Biochemistry and Molecular Biophysics

Sourav Roy, Ph.D.

Research Assistant Professor

Brandon Garcia, Ph.D.

Contact information

Office: 317 Ackert Hall
Phone: 785-532-0673
Lab: 323 Ackert Hall
E-mail: sourav27@ksu.edu

 

Education

B.S. (Physics) 2008, University of Calcutta, India
M.S. (Physics) 2010, University of Pune, India
Ph.D. (Life Science) 2015, Homi Bhabha National Institute,India

Areas of Specialty

  • Computational biophysics
  • Protein folding
  • Lyme disease biology
  • Sturctual biology and Drug discovery
  • Neuro-degenerative diseases

Vector-borne diseases inflict significant morbidity and mortality worldwide, accounting for over 1/6 of infectious disease cases in humans. My research focuses on the structure, function, and dynamics of proteins from Borrelia burgdorferi involved in Lyme disease virulence and complement evasion. We are currently investigating the roles of disease-causing bacterial proteins at the host-pathogen interaction level to design novel therapeutic agents targeted towards human auto-immune, inflammatory, and neurodegenerative diseases.

Our lab routinely uses structural biology, biochemical, and computational methods to answer some of the fundamental questions of how these bacteria function in immune-incompetent hosts. We aim to discover novel structure-guided, AI-powered peptides for complement therapeutics. We are also developing an automated unsupervised AI model for designing target-specific small molecules. Our lab also focuses on protein-protein interaction studies of proteins from non-Cholera Vibrio (NCV) bacteria, important for biofilm formations.

Publications

  1. Equilibrium unfolding of cyclophilin: Characterization of intermediate state(s). Sourav Roy, Sankar Basu, Alok. K. Datta, Dhananjay Bhattacharyya, Rahul Banerjee* and Dipak Dasgupta*. International Journal of Biological Macromolecules,69, (353-360),2014. doi: http://dx.doi/10.1016/j.ijbiomac.2014.05.063.
  2. Unfolding MD Simulations of Cyclophilin: Analyzed by Surface Contact Networks and Their Associated Metrics. Plos One, 2015, doi: https://doi.org/10.1371/journal.pone.0142173. Sourav Roy, Sankar Basu, Dipak Dasgupta, Dhananjay Bhattacharyya* and Rahul Banerjee*.
  3. Anion formation by electron impact from CF4. S.V.K. Kumar, M.A. Rahman, and Sourav Roy. International Journal of Mass Spectrometry. (277), 1-3,2008.
  4. Book Chapter: Sourav Roy, Mathematical Modeling of Endothelial Networks: From Bench to Bedside, Elsevier, Editor: Prof. Shampa Chatterjee, ISBN: 978-0-12-816196-8 (2019)
  5. Targeting the Initiator Protease of the Classical Pathway of Complement Using Fragment-Based Drug Discovery. Rushing, B.R.; Rohlik, D.L.; Roy, S.; Skaff, D.A.; Garcia, B.L. Molecules 2020, 25, 4016, doi: https://doi.org/10.3390/molecules25174016
  6. Capturing a Crucial ‘Disorder-to-Order Transition’ at the Heart of the Coronavirus Molecular Pathology— Triggered by Highly Persistent, Interchangeable Salt-Bridges. Roy, S.; Ghosh, P.; Bandyopadhyay, A.; Basu, S. Vaccines 2022, 10, 301. https://doi.org/10.3390/vaccines10020301
  7. CuI@graphene as antibody-free fluoro-sensor for prostate-specific antigen (PSA), D. Das, S. Basu, N. Rana, S. Roy, B. Hazra, K. Sen. Materials Today Chemistry, Volume 26,2022,1 01196, ISSN 2468-5194, https://doi.org/10.1016/j.mtchem.2022.101196.
  8. Conformational dynamics of complement protease C1r inhibitor proteins from Lyme disease- and relapsing fever-causing spirochetes. Roy S, Booth CE Jr, Powell-Pierce AD, Schulz AM, Skare JT, Garcia BL. J Biol Chem. 2023 Aug;299(8):104972. doi: 10.1016/j.jbc.2023.104972. Epub 2023 Jun 27. PMID: 37380082; PMCID: PMC10413161.
  9. Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl) Pyridine3-Carboximidamide and Chemical Analogs. Xin Xu, Timothy J. Herdendorf, Huiquan Duan, Denise L. Rohlik, Sourav Roy, Hinman Zhou, Haya Alkhateeb, Sanjay Khandelwal, Qilong Zhou, Ping Li, Gowthami M. Arepally, 2 John K. Walker, Brandon L. Garcia, Brian V. Geisbrecht; J Immunol 15 February 2024; 212 (4): 689–701. https://doi.org/10.4049/jimmunol.2300630
  10. Andrea M. Gough, Anita C. Parker, Patricia J. O’Bryan, Terence R. Whitehead, Sourav Roy, Brandon L. Garcia, Paul S. Hoffman, C. Jeffrey Smith, and Edson R. Rocha. New functions of pirin proteins and a 2‐ ketoglutarate: Ferredoxin oxidoreductase ortholog in Bacteroides fragilis metabolism and their impact on antimicrobial susceptibility to metronidazole and amixicile. MicrobiologyOpen. 2024 Aug;13(4):e1429. doi: 10.1002/mbo3.1429. PMID: 39109824; PMCID: PMC11304471.
  11. Nath, S., Sen, T., Roy, S., Baildya, N., Borah, P., Kaminsky, W., Gargari, M., Verma, A., Kanmazalp, S., Adhikari, S. and Saha, I. (2024), Supramolecular Co (II) Complex Fabricated From Adenine Derivative: Synthesis, Crystal Structure, Hirshfeld Surface, DFT Optimization, Anticancer, and Molecular Docking Studies. Appl Organomet Chem e7846. https://doi.org/10.1002/aoc.7846.