Physics faculty Dr. Chethan B. S.

Physics Faculty Profile

Dr. Chethan B. S.

Assistant Professor

Name of the faculty: Dr. Chethan B. S.

Designation: Assistant Professor

Qualifications: M.Sc, Ph.D., KSLET

Area of specialization: Condensed matter physics, crystallography and computational studies

Email id: chethanbsphysics@gmail.com

Contact no.: 8553911023

Experience in years: 07

Awards/ Recognitions/ Achievements:

  • Awarded travel grant by Ras Al Khaimah Center for Advanced Materials (RAK CAM), UAE. (2023).
  • Best cadet and second place for group planning activities in Basic Leadership Camp (NCC) held at Mysuru. (2013).

Citations: 146
H-index: 6
i-10 index: 6

Papers published in Journals:

  • Maithra, N., Srivatsan, S. S., Kumar, B. K., Chethan, B. S., Pruthviraj, K., Kumar, D. V., … & Lokanath, N. K. (2025). Exploring the structural intricacies of 1D HOF in a novel hydrazone derivative exhibiting anticancer potential: A crystallographic and computational approach. Journal of Molecular Structure, 1322, 140523. doi: https://doi.org/10.1016/j.molstruc.2024.140523.
  • ‌Rekharani, D., DC, V. K., Chethan, B. S., Urs, D., Sathisha, K. R., Lokanath, N. K., & Naveen, S. (2025). Exploration of crystal structure, supramolecular organization, and computational studies of a novel pyrazole derivative: A structural and theoretical perspectives. Journal of Molecular Structure, 1321, 140265. doi: https://doi.org/10.1016/j.molstruc.2024.140265.
  • ‌Keerthan, K. B., Sanjay, S. S., Maithra, N., Chethan, B. S., Pruthviraj, K., Niranajna, S. V., … & Lokanath, N. K. (2025). Exploring the inhibition of VEGFR2 tyrosine kinase domain by a novel Schiff base: crystallographic and computational approaches towards anticancer potential. Journal of Molecular Structure, 141552.  doi: https://doi.org/10.1016/j.molstruc.2025.141552.
  • ‌Shalini, V., Kumar, D. V., Gowda, D., Chethan, B. S., Harsha, K. B., Rajesh, S. M., & Rangappa, K. S. (2025). Unveiling the structural and theoretical properties of 6-(2-fluoro-3-methylpyridin-4-yl)-2-(4-methoxyphenyl)-N-phenylquinoline-4-carboxamide compound as Sonic Hedgehog protein inhibitor: Synthesis, SCXRD, HSA, DFT, Docking and ADMET studies. Journal of Molecular Structure, 141495.  doi: https://doi.org/10.1016/j.molstruc.2025.141495.
  • ‌Gowda, D., Kumar, D. V., Gowda, B., Chethan, B. S., Harsha, K. B., Shalini, V., … & Rangappa, K. S. (2025). A Comprehensive Investigation of 4-(4-chlorophenyl)-3-methyl-6, 7, 8, 9-tetrahydroisoxazolo [5, 4-b] quinolin-5 (4H)-one as Potential Anticancer Agent: Insights from Computational and Experimental Results Through Crystal Structure Analysis. Journal of Molecular Structure, 141489.  doi: https://doi.org/10.1016/j.molstruc.2025.141489.
  • ‌Chethan, B. S., Kannan, D., Kumar, A. U., Urs, M. D., Lingegowda, N. S., Lokanath, N. K., & Naveen, S. (2025). Synthesis of novel chromeno-tethered imidazolone scaffold through one pot sequential multicomponent reaction mediated cyclization: A structural, computational and in silico investigation. Journal of Molecular Structure, 1320, 139728.  doi: https://doi.org/10.1016/j.molstruc.2024.139728.
  • ‌Hamsaveni, M., Hegde, R. R., Sahana, B., Chethan, B. S., Pruthviraj, K., Maithra, N., … & Lokanath, N. K. (2024). Synthesis, biological evaluation of novel pyridine derivative as antibacterial agent: DFT, molecular docking and ADMET studies. Journal of Molecular Structure, 1318, 139367., doi: https://doi.org/10.1016/j.molstruc.2024.139367.
  • ‌Niranjana S. V., Chethan B. S., Mahesha, Chethan Prathap K. N, Hema. M. K, and Lokanath. N. K, “In-silico investigation of 4-nitro-N-1H-pyrazol-3-ylbenzamide towards its potential use against SARS-CoV-2: a DFT, molecular docking and molecular dynamics study,” Journal of Biomolecular Structure and Dynamics, vol. 42, no. 21, pp. 11435–11455, Sep. 2023, doi: https://doi.org/10.1080/07391102.2023.2262597.
  • Pruthviraj K, Chethan B. S. et.al “E5-((3-phenoxyphenyl)diazenyl)quinolin-8-ol (PPDQ) : A Novel Promising Anticorrosive for Mild Steel in Acid Media, and a Pharmacologically Potent Antidiabetic, Antioxidant Azo Dye,” Orbital: The Electronic Journal of Chemistry, pp. 198–204, Oct. 2024, doi: https://doi.org/10.17807/orbital.v16i3.21006.
  • Shalini, V., Priyadarshini, A. N., DC, V. K., Gowda, D., Chethan, B. S., Srinivasa, S. M., … & Rangappa, K. S. (2024). Novel quinoline-4-carboxamide derivatives potentiates apoptosis by targeting PDK1 to overcome chemo-resistance in colorectal cancer: Theoretical and experimental results. Heliyon, 10(19).  doi: https://doi.org/10.1016/j.heliyon.2024.e38105.
  • ‌K. Pruthviraj, B. S. Chethan, N. K. Lokanath, S. V. Niranjana, N. N. Hebbar, and K. Sunil, “Schiff base derived from 2-hydroxy napthaldehyde as anti-corrosive for mild steel in acid media: experimental investigation and theoretical modelling,” Molecular Physics, Aug. 2024, doi: https://doi.org/10.1080/00268976.2024.2385580.
  • ‌K. Pruthviraj, B. S. Chethan., et al. “E5-((3-phenoxyphenyl)diazenyl)quinolin-8-ol (PPDQ) : A Novel Promising Anticorrosive for Mild Steel in Acid Media, and a Pharmacologically Potent Antidiabetic, Antioxidant Azo Dye,” Orbital: The Electronic Journal of Chemistry, pp. 198–204, Oct. 2024, doi: https://doi.org/10.17807/orbital.v16i3.21006.
  • ‌AlAli, A., AlObaid, A., Chethan, B. S., Shalalin, K., Alzeqri, N., Alkanad, K., … & Khanum, S. A. (2024). Synthesis, Jahn-Teller labeled via crystal structure in trans-(ClO4) 2CuII (Me2N-Py) 4 complex: S9/S6/CH… O synthons, thermal, physicochemical and 1BNA-docking. Journal of King Saud University-Science, 103302. doi: https://doi.org/10.1016/j.jksus.2024.103302.
  • ‌V. N. Hegde, S. J. S, Chethan. B. S, Mofeli Benedict Leoma, and L. N. K, “Structural, computational and in silico studies of 4-bromo-3-flurobenzonitrile as anti-Alzheimer and anti-Parkinson agents,” Journal of biomolecular structure and dynamics/Journal of biomolecular structure & dynamics, pp. 1–25, Jul. 2023, doi: https://doi.org/10.1080/07391102.2023.2226755.
  • ‌D. Rekharani, N. Shivalingegowda, Mahesha, M. V. D. Urs, B. S. Chethan, and L. N. Krishnappagowda, “A novel pyrazole derivative as COVID-19 main protease inhibitor: Synthesis, quantum computational studies, pharmacokinetic properties, drug likeness, molecular docking and dynamics simulation; a CADD approach,” Chemical Physics Impact, vol. 8, p. 100475, Jun. 2024, doi: https://doi.org/10.1016/j.chphi.2024.100475.
  • ‌Mahesha., Sapnakumari, M., Chethan, B. S., Jinkle, T., Urs, M. D., Lingegowda, N. S., Lokanath, N. K., & Naveen, S. (2024). Multicomponent synthesis, structural and molecular dynamics simulation studies of a novel spirooxindole derivative. Chemical Physics Impact, 8, 100467.  doi: https://doi.org/10.1016/j.chphi.2024.100467.
  • ‌‌Nagaraju, M., Karthik, C. S., Hema, M. K., Chethan, B. S., Ramalingam, R. J., Karnan, M., & Lokanath, N. K. (2025). Perusal on the role of DMF solvent and hydrogen bonding in the formation of 1D polymeric chains in mixed ligand Ni (II) complex as an anticancer agent: a computational approach. Journal of Biomolecular Structure and Dynamics, 43(3), 1259-1277.  doi: https://doi.org/10.1080/07391102.2023.2291543.
  • ‌V. Kumar, B. S. Chethan, D. Gowda, K. S. Rangappa, and N. K. Lokanath, “Investigation of the crystal structure, supramolecular architecture and in-silico myelofibrosis inhibition of a triazole derivative: a structural and theoretical approach,” Journal of Molecular Structure, vol. 1288, pp. 135770–135770, May 2023, doi: https://doi.org/10.1016/j.molstruc.2023.135770.
  • ‌Padmaja, D. V., Rajegowda, H. R., Chethan, B. S., Krishnamurthy, P., Suchetan, P. A., Lokanath, N. K., … & Jayashankar, B. (2023). New thioether-hydrazide based ONS donor Schiff base and its Pd (II) complex: Synthesis, crystal structure, thermal analysis, hirshfeld surface analysis, quantum chemical studies and molecular docking. Journal of Molecular Structure, 1281, 135041.  doi: https://doi.org/10.1016/j.molstruc.2023.135041.
  • ‌B. S. Chethan, H. R. Rajegowda, R. ur R. Khan, and N. K. Lokanath, “Structural and theoretical insights towards the understanding of the effect on the conformation of ligand by complexation process,” Journal of Molecular Structure, vol. 1276, p. 134759, Mar. 2023, doi: https://doi.org/10.1016/j.molstruc.2022.134759.
  • ‌B.S. Chethan, H.R. Rajegowda, D.V. Padmaja, and N.K. Lokanath, “Synthesis, structural and exploration of non-covalent interactions of the palladium complex with the crystalline water molecule: A comprehensive quantum chemical approach,” Journal of Molecular Structure, vol. 1274, pp. 134419–134419, Feb. 2023, doi: https://doi.org/10.1016/j.molstruc.2022.134419.
  • ‌H.R. Rajegowda, B. S. Chethan, R. ur, N.K. Lokanath, P.A. Suchetan, and P. R. Kumar, “Synthesis, crystal structure and thermal investigation of molecular salts of (R)-1-phenylethanamine combined with quantum chemical studies,” Journal of Molecular Structure, vol. 1272, pp. 134097–134097, Sep. 2022, doi: https://doi.org/10.1016/j.molstruc.2022.134097.
  • ‌P. Kumar, K. Sunil, B. S. Chethan, N. K. Lokanath, N. Madan, and A. M. Sajith, “Synthesis, characterisation, biological and theoretical studies of novel pyridine derivatives,” Molecular Physics, vol. 120, no. 13, Jun. 2022, doi: https://doi.org/10.1080/00268976.2022.2093283.
  • ‌Somashekar, M. N., Chetana, P. R., Chethan, B. S., Rajegowda, H. R., Cooper, M. A., Ziora, Z. M., … & Srinatha, B. S. (2022). Synthesis and characterization of Zinc (II) complex with ONO donor type new phenylpropanehydrazide based ligand: Crystal structure, Hirshfeld surface analysis, DFT, energy frameworks and molecular docking. Journal of Molecular Structure, 1255, 132429.  doi: https://doi.org/10.1016/j.molstruc.2022.132429.
  • ‌B.S. Chethan and N.K. Lokanath, “Study of the crystal structure, H-bonding and noncovalent interactions of novel cocrystal by systematic computational search approach,” Journal of Molecular Structure, vol. 1251, pp. 131936–131936, Nov. 2021, doi: https://doi.org/10.1016/j.molstruc.2021.131936. ‌
  • Chethan. B. S., C. P. Kesthur Nataraju, and L. N. Krishnappagowda, “Design, synthesis, structural analysis and quantum chemical insight into the molecular structure of coumarin derivatives,” Molecular Systems Design & Engineering, vol. 7, no. 2, pp. 132–157, 2022, doi: https://doi.org/10.1039/d1me00113b.

Papers published in International /National conference:

  • Structural study of the changes in the supramolecularsynthons of the ligand due to the complexation process: aid towards the drug design. Second International Conference on Advanced Materials For Health, Energy and Environment, SJCE,JSSSTU, Mysuru, India (Oral presentation).28 Feb-02 Mar 2023.
  • Exploration of the structural and electronic properties of the palladium complexes: an insight into the effect of the approach of metal towards the conformation and properties of the ligand. International Workshop on Advanced Materials, Ras Al Khaimah, United Arab Emirates (Poster presentation).19-21 Feb 2023.
  • Structural and theoretical insights towards the understanding of the effect on the conformation of ligand by complexation process. Virtual Winter School on Computational Chemistry 2023 (Single Figure Presentation). 06-10 Feb 2023.
  • Synthesis, structural and exploration of non-covalent interactions of the palladium complex with the crystalline water molecule: a comprahensive quantum chemical approach. International Conference on Recent Advancements in Chemisty, Field Marshal K.M.Cariappa College, Madikeri, India (Oral presentation).  23 Nov 2022.
  • Role of the functional groups as substitution towards the controlability of the supramolecular architecture. International Workshop on Advanced Materials, Ras Al Khaimah, United Arab Emirates (Poster presentation). 20-22 Feb 2022.
  • Supramolecular architecture: design to applications. National Conference on Recent Advances in Nanoscience and Nanotechnology, VVCE, Mysuru, India (Oral presentation).  11-13 Nov 2021.