Publications
Computational insights into VacA toxin inhibition: harnessing FDA-approved antibiotics against Helicobacter pylori
Authors: Kashyap, D., Koirala, S., Roy, R., Saini, V., Varshney, N., Bagde, P.H., Samanta, S., Kar, P., and Jha, H.C.
Journal of Biomolecular Structure and Dynamics • 2024
This study provides computational insights into VacA toxin inhibition by exploring the potential of FDA-approved antibiotics against Helicobacter pylori.
Elucidating the conformational dynamics of histo-blood group antigens and their interactions with the rotavirus spike protein through computational lens
Authors: Poddar, S., Roy, R., and Kar, P.
Journal of Biomolecular Structure and Dynamics • 2024
This work explores the conformational dynamics of histo-blood group antigens and their interactions with the rotavirus spike protein using computational approaches.
Withania somnifera extract reduces gastric cancerous properties through inhibition of gankyrin in cellular milieu produced by Helicobacter pylori and Epstein Barr virus
Authors: Kashyap, D., Roy, R., Varshney, N., Baral, B., Bagde, P.H., Kandpal, M., Kumar, S., Kar, P., and Jha, H.C.
Journal of Biomolecular Structure and Dynamics • 2024
This study investigates the potential of Withania somnifera extract in reducing gastric cancerous properties by inhibiting gankyrin in cellular environments influenced by Helicobacter pylori and Epstein Barr virus.
Plant derived active compounds of ayurvedic neurological formulation, Saraswatharishta as a potential dual leucine zipper kinase inhibitor: An in-silico study
Authors: Koirala, S.#, Roy, R..#, Samanta, S., Mahapatra, S., and Kar, P.
Journal of Biomolecular Structure and Dynamics • 2024
This study evaluates plant-derived active compounds from the Ayurvedic formulation Saraswatharishta as potential dual leucine zipper kinase inhibitors using in-silico methods.
The role of extrinsic and intrinsic factors in perceptual filling-in of the blind-spot with variegated color and texture stimuli
Authors: Mukherjee, A., Paul, A., Roy, R., and Ghosh, K.
Vision Research • 2024
This paper explores how both extrinsic and intrinsic factors contribute to perceptual filling-in of the blind spot when exposed to variegated color and texture stimuli.
Predicting immune response targets in orthoflaviviruses through sequence homology and computational analysis
Authors: Are, V.N., Roy, R., Dhanda, S.K., Neema, S., Sahu, N.R., Adithya, N., Tiwari, R., Kar, P., and Nayak, D.
Journal of Molecular Modeling • 2024
This study predicts immune response targets in orthoflaviviruses by combining sequence homology analysis with computational approaches.
4 ″-Alkyl EGCG Derivatives Induce Cytoprotective Autophagy Response by Inhibiting EGFR in Glioblastoma Cells
Authors: Singh, S., Ghosh, P., Roy, R., Behera, A., Sahadevan, R., Kar, P., Sadhukhan, S., and Sonawane, A.
ACS Omega • 2024
This study demonstrates that 4 ″-Alkyl EGCG derivatives induce a cytoprotective autophagy response in glioblastoma cells by inhibiting EGFR signaling.
The conformational dynamics of Hepatitis C Virus E2 glycoprotein with the increasing number of N-glycosylation unraveled by molecular dynamics simulations
Authors: Poddar, S., Roy, R., and Kar, P.
ACS Omega • 2024
This study investigates how increasing N-glycosylation affects the conformational dynamics of Hepatitis C Virus E2 glycoprotein using molecular dynamics simulations.