Publications

• 2024

  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, vol. 14, no. 2, ISSN: 2190-5738.
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• 2023

  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, vol. 14, no. 1, p. 1-17. ISSN: 1664-3224.
  Detail | WWW | Full text in the Digital Library

  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. p. 1-5.
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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. p. 1-2.
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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. p. 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, vol. 248, no. SEP 1 2023, p. 1-21. ISSN: 0141-8130.
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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, vol. 6, no. 43, p. 28699-28709. ISSN: 2470-1343.
  Detail | WWW | Full text in the Digital Library

  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, vol. 10, no. 7, p. 1-12. ISSN: 2079-6382.
  Detail | WWW | Full text in the Digital Library

• 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, vol. 5, no. 32, p. 19968-19977. ISSN: 2470-1343.
  Detail | WWW | Full text in the Digital Library

  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, vol. 38, no. 18, p. 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, vol. 726, no. 52, p. 1-8. ISSN: 0939-4451.
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• 2018

  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, vol. 8, no. 5058, p. 1-9. ISSN: 2045-2322.
  Detail | WWW | Full text in the Digital Library

  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, vol. 26, no. 15, p. 4551-4559. ISSN: 0968-0896.
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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, vol. 7, no. 9, p. 1-9. ISSN: 2162-3279.
  Detail | WWW | Full text in the Digital Library

• 2016

  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, vol. 100, no. 5, p. 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, vol. 22, no. 5, p. 572-581. ISSN: 1381-6128.
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  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. p. 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, vol. 2016, no. 6, p. 1154-1166. ISSN: 0273-2289.
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• 2015

  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, vol. 59, no. 4, p. 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, no. 09, p. 211-2016. ISSN: 1573-4064.
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  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, no. 240, p. 50-64. ISSN: 0168-9452.
  Detail

  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, vol. 9, no. 4, p. 1-11. ISSN: 0739-1102.
  Detail

  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, vol. 25, no. 4, p. 1-26. ISSN: 1046-2023.
  Detail

• 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. p. 352-356. ISBN: 978-1-4799-5669- 2.
  Detail

  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. p. 189-189. ISBN: 978-960-6865-81- 7.
  Detail

  UPADHYAY, H.; DWIVEDI, G.; ROY, S.; SHARMA, A.; DAROKAR, M.; SRIVASTAVA, S. Phytol Derivatives as Drug Resistance Reversal Agents. ChemMedChem, 2014, vol. 9, no. 8, p. 1860-1868. ISSN: 1860-7187.
  Detail

  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. p. 469-470. ISBN: 978-1-4799-4435-4.
  Detail

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