Publikace

• 2025

  SONI, R.; PANKAJ, V.; ROY, S.; KHAINAR, A.; SHAH, J. Upregulation of the PI3K/AKT and Nrf2 Pathways by the DPP‑4 Inhibitor Sitagliptin Renders Neuroprotection in Chemically Induced Parkinson’s Disease Mouse Models. ACS CHEM NEUROSCI, 2025, roč. 2025, č. 16, s. 1402-1417. ISSN: 1948-7193.
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  DAS, A.; SENGUPTA, P.; KHANAM, J.; AUGUSTINE, R.; THAKOR, A.; THOMAS, S.; ROY, S.; GHOSAL, K. Magnetic nanoparticle as a new cutting-edge drug delivery and diagnostic platform: a review on its properties, synthesis, surface modification and applications. Carbohydrate Polymer Technologies and Applications, 2025, roč. 11, č. 9, s. 1-13. ISSN: 2666-8939.
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  Vaishali Pankaj, Inderjeet Bhogal, Sudeep Roy. Unveiling HDAC8 antagonists for breast cancer therapy via molecular modeling. In 2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). IEEE-International Conference on Bioinformatics and Biomedicine (BIBM). Lisbon, Portugal: IEEE, 2025. s. 852-855. ISBN: 979-8-3503-8622-6. ISSN: 2156-1133.
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  BHOGAL, I.; PANKAJ, V.; ROY, S. Probing the interactions between Ipragliflozin with RAGE for treating Alzheimer’s disease: An in-silico drug repurposing approach. Prague: ENBIK 2025, 2025. s. 50 ( s.)
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  Pankaj V; Bhogal I; Roy S. An integrated computational strategy to identify selective HDAC6 inhibitors against breast cancer. Prague: ENBIK 2025 National Bioinformatic Conference, 2025. s. 70 ( s.)
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  BHOGAL, I.; PANKAJ, V.; ROY, S. Therapeutic strategy to identify potential RAGE inhibitors against Alzheimer’s disease: An in-silico approach. In 2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). IEEE-International Conference on Bioinformatics and Biomedicine (BIBM). Lisbon, Portugal: IEEE International Conference on Bioinformatics and Biomedicine (BIBM) 2024, 2025. s. 6061-6068. ISBN: 979-8-3503-8622-6. ISSN: 2156-1133.
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  BHOGAL, I.; PANKAJ, V.; ROY, S. Identifying RAGE inhibitors as potential therapeutics for Alzheimer’s disease via integrated in-silico approaches. Scientific Reports, 2025, roč. 15, č. 1, s. 1-17. ISSN: 2045-2322.
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• 2024

  Špaková, A; Pankaj, V; Bhogal, I; Roy, S. Probing natural molecules with PPAR-γ to reveal potent agonist against Cancer. In Proceedings II of the 30th STUDENT EEICT 2024 Selected papers. 1. Brno: Brno University of Technology, Faculty of Electrical Engineering and Communication, 2024. s. 65-69. ISBN: 978-80-214-6230-4.
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  BHOGAL, I.; PANKAJ, V.; ROY, S.; PROVAZNÍK, V. In silico investigation of cholesterol-lowering drugs to find potential inhibitors of dehydrosqualene synthase in Staphylococcus aureus. 3 Biotech, 2024, roč. 14, č. 2, ISSN: 2190-5738.
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• 2023

  BHOGAL, I.; PANKAJ, V.; ROY, S. Exploration of potential inhibitors of CrtM enzyme of Staphylococcus aureus using squalene synthase inhibitors: An in-silico study. PROCEEDINGS II OF THE 29TH STUDENT EEICT 2023. Brno, Czech Republic: Brno University of Technology, 2023. s. 1-5.
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  PANKAJ, V.; BHOGAL, I.; ROY, S. Computational approaches to find potential phytochemical for ADHD treatment. PROCEEDINGS II OF THE 29TH STUDENT EEICT 2023. Brno, Czech Republic: Brno University of Technology, 2023. s. 1-5.
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  CHATTERJEE, S.; MAHMOOD, S.; HILLES, R.; THOMAS, S.; ROY, S.; PROVAZNÍK, V.; ROMERO, E.; GHOSAL, K. Cationic starch: A functionalized polysaccharide based polymer for advancement of drug delivery and health care system - A review. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2023, roč. 248, č. SEP 1 2023, s. 1-21. ISSN: 0141-8130.
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  ROY, S.; ROY, S.; MAHATA, B.; PRAMANIK, J.; HENNRICH, M.; GAVIN, A.; TEICHMANN, S. CLICK-chemoproteomics and molecular dynamics simulation reveals pregnenolone targets and their binding conformations in Th2 cells. Frontiers in Immunology, 2023, roč. 14, č. 1, s. 1-17. ISSN: 1664-3224.
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  Vaishali Pankaj, Inderjeet Bhogal, Sudeep Roy. “In silico approaches to find potential HDAC8 antagonist in treatment of breast cancer”. 20th IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology. Eindhoven, Netherlands: 2023. s. 1-2.
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  BHOGAL, I.; PANKAJ, V.; ROY, S. The role of cholesterol lowering drugs in modulating virulence in Staphylococcus aureus. Eindhoven, The Netherlands: 20th IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology, 2023. s. 1-2.
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• 2021

  BISWAS, A.; MONDAL, S.; KUMAR DAS, S.; BOSE, A.; THOMAS, S.; GHOSAL, K.; ROY, S.; PROVAZNÍK, I. Development and Characterization of Natural Product Derived Macromolecules Based Interpenetrating Polymer Network for Therapeutic Drug Targeting. ACS OMEGA, 2021, roč. 6, č. 43, s. 28699-28709. ISSN: 2470-1343.
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  TYAGI, A.; ROY, S.; PROVAZNÍK, I.; SINGH, S.; SEMWAL, M.; SHASANY, A.; SHARMA, A. PhytoAFP: In Silico Approaches for Designing Plant-Derived Antifungal Peptides. Antibiotics, 2021, roč. 10, č. 7, s. 1-12. ISSN: 2079-6382.
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• 2020

  PAL, A.; ROY, S.; KUMAR, A.; MAHMOOD, S.; KHODAPANAH, N.; THOMAS, S.; AGATEMOR, C.; GHOSAL, K. Physicochemical Characterization, Molecular Docking, and In Vitro Dissolution of Glimepiride−Captisol Inclusion Complexes. ACS OMEGA, 2020, roč. 5, č. 32, s. 19968-19977. ISSN: 2470-1343.
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  RAJENDRAN, M.; ROY, S.; RAVICHANDRAN, K.; MISHRA, B.; GUPTA, D.; NAGARAJAN, S.; SELVARAJ, R.; PROVAZNÍK, I. In-silico screening and molecular dynamics of phytochemicals from Indian cuisine against SARS-CoV-2 MPro. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020, roč. 38, č. 18, s. 1-15. ISSN: 1538-0254.
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• 2019

  TYAGI, A.; PANKAJ, V.; SINGH, S.; ROY, S.; SEMWAL, M.; SHASANY, A.; SHARMA, A. PlantAFP: a curated database of plant-origin antifungal peptides. AMINO ACIDS, 2019, roč. 726, č. 52, s. 1-8. ISSN: 0939-4451.
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• 2018

  CHATURVEDI, A.; VERMA, A.; THAKUR, J.; ROY, S.; TRIPATHI, S.; KUMAR, B.; KHWAJA, S.; SACHAN, N.; SHARMA, A.; CHANDA, D.; SHANKER, K.; SAIKIA, D.; NEGI, A. A novel synthesis of 2-arylbenzimidazoles in molecular sieves-MeOH system and their antitubercular activity. BIOORGANIC & MEDICINAL CHEMISTRY, 2018, roč. 26, č. 15, s. 4551-4559. ISSN: 0968-0896.
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  GHOSAL, K.; CHANDRA, A.; GOVINDH, P.; SNIGDHA, S.; ROY, S.; AGATEMOR, C.; THOMAS, S.; PROVAZNÍK, I. Electrospinning over Solvent Casting: Tuning of Mechanical Properties of Membranes. Scientific Reports, 2018, roč. 8, č. 5058, s. 1-9. ISSN: 2045-2322.
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• 2017

  ROY, S.; GUMULEC, J.; KUMAR, A.; RAUDENSKÁ, M.; BAIG, M.; POLANSKÁ, H.; BALVAN, J.; GUPTA, M.; BABULA, P.; ODSTRČILÍK, J.; CHOI, I.; PROVAZNÍK, I.; MASAŘÍK, M. The effect of Benzothiazolone-2 on the expression of Metallothionein-3 in modulating Alzheimer's disease. Brain and Behavior, 2017, roč. 7, č. 9, s. 1-9. ISSN: 2162-3279.
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• 2016

  KOŠČOVÁ, P.; ROY, S.; PROVAZNÍK, I. Use of 3D QSAR Pharmacophore Modelling in the Research of Influenza. In 4th International Conference on Chemical Technology. 2016. s. 529-533. ISBN: 978-80-86238-91-3.
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  VERMA, P.; ANJUM, S.; KHAN, S.; ROY, S.; ODSTRČILÍK, J.; MATHUR, A. Envisaging the Regulation of Alkaloid Biosynthesis and Associated Growth Kinetics in Hairy Roots of Vinca minor Through the Function of Artificial Neural Network. APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY, 2016, roč. 2016, č. 6, s. 1154-1166. ISSN: 0273-2289.
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  DWIVEDI, G.; TIWARI, N.; SINGH, A.; KUMAR, A.; ROY, S.; NEGI, A.; PAL, A.; CHANDA, D.; SHARMA, A.; DAROKAR, M. Gallic acid based indanone derivative interacts synergistically with tetracycline by inhibiting efflux pump in multidrug resistant E. coli. APPLIED MICROBIOLOGY AND BIOTECHNOLOGY, 2016, roč. 100, č. 5, s. 2311-2325. ISSN: 0175-7598.
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  BAIG, M.; AHMAD, K.; ROY, S.; ASHRAF, J.; ADIL, M.; SIDDIQUI, M.; KHAN, S.; KAMAL, M.; PROVAZNÍK, I.; CHOI, I. Computer Aided Drug Design: Success and Limitations. CURRENT PHARMACEUTICAL DESIGN, 2016, roč. 22, č. 5, s. 572-581. ISSN: 1381-6128.
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• 2015

  MISRA, R.; GARG, A.; ROY, S.; CHANOTIYA, C.; VASUDEV, P.; GHOSH, S. Involvement of an ent-copalyl diphosphate synthase in tissue-specific accumulation of specialized diterpenes in Andrographis paniculata. PLANT SCIENCE, 2015, č. 240, s. 50-64. ISSN: 0168-9452.
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  KUMAR, A.; ROY, S.; TRIPATHI, S.; SHARMA, A. Molecular docking based virtual screening of natural compounds as potential BACE1 inhibitors: 3D –QSAR pharmacophore mapping and molecular dynamics analysis. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2015, roč. 9, č. 4, s. 1-11. ISSN: 0739-1102.
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  SINGH, B.; UPRETI, D.; SINGH, B.; PANDEY, G.; VERMA, S.; ROY, S.; NAQVI, A.; RAWAT, A. Quercetin Sensitizes Fluconazole- Resistant Candida albicans To Induce Apoptotic Cell Death by Modulating Quorum Sensing. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, 2015, roč. 59, č. 4, s. 599-614. ISSN: 0066- 4804.
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  SHUKLA, R.; SHARMA, D.; BAIG, M.; BANO, S.; ROY, S.; PROVAZNÍK, I.; KAMAL, M. Antioxidant, Antimicrobial Activity and Medicinal Properties of Grewia asiatica L. MED CHEM, 2015, č. 09, s. 211-2016. ISSN: 1573-4064.
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  ROY, S.; KUMAR, A.; BAIG, M.; MASAŘÍK, M.; PROVAZNÍK, I. Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecules based inhibitors against metallothionein-III to study Alzheimer disease. METHODS, 2015, roč. 25, č. 4, s. 1-26. ISSN: 1046-2023.
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• 2014

  ROY, S.; KUMAR, A.; PROVAZNÍK, I. Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecule based inhibitors against metallothionein-III to study Alzheimer' s disease. In Proceedings IEEE International Conference on Bioinformatics and Biomedicine (BIBM). Belfast, United Kingdom: IEEE, 2014. s. 352-356. ISBN: 978-1-4799-5669- 2.
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  UPADHYAY, H.; DWIVEDI, G.; ROY, S.; SHARMA, A.; DAROKAR, M.; SRIVASTAVA, S. Phytol Derivatives as Drug Resistance Reversal Agents. ChemMedChem, 2014, roč. 9, č. 8, s. 1860-1868. ISSN: 1860-7187.
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  ROY, S.; PROVAZNÍK, I. In-silico characterization of human metallothionein (MT-1E) and its role in prevention and therapy of bladder cancer with dietary agents. In 2014 IEEE 27th International Symposium on Computer-Based Medical Systems. New York: IEEE, 2014. s. 469-470. ISBN: 978-1-4799-4435-4.
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  ROY, S.; SONI, G.; SHARMA, A.; PROVAZNÍK, I. In-silico studies of Cu- Zn superoxide dismutase enzyme from helianthus annuus with polycyclic aromatic hydrocarbons to find out insight into its phytoremediation capabilities. In 11th International Phytotechnologies Conference. 11. Crete, Greece: International Phytotechnology Society, 2014. s. 189-189. ISBN: 978-960-6865-81- 7.
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