يعرض 1 - 18 نتائج من 18 نتيجة بحث عن '"Chethan, B.S."', وقت الاستعلام: 0.52s تنقيح النتائج
  1. 1
    Academic Journal
    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

    المؤلفون: Rekharani, D., Shivalingegowda, Naveen, Mahesha, Urs, M.V. Deepa, Chethan, B.S., Krishnappagowda, Lokanath Neratur

    المصدر: Chemical Physics Impact ; volume 8, page 100475 ; ISSN 2667-0224

    الاتاحة: http://dx.doi.org/10.1016/j.chphi.2024.100475
    https://api.elsevier.com/content/article/PII:S2667022424000197?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S2667022424000197?httpAccept=text/plain

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  2. 2
    Academic Journal
    Multicomponent synthesis, structural and molecular dynamics simulation studies of a novel spirooxindole derivative

    المؤلفون: Mahesha, Sapnakumari, Majal, Chethan, B.S., Jinkle, Thomas, Deepa Urs, M.V., Lingegowda, N.S., Lokanath, N.K., Naveen, S.

    المصدر: Chemical Physics Impact ; volume 8, page 100467 ; ISSN 2667-0224

    الاتاحة: http://dx.doi.org/10.1016/j.chphi.2024.100467
    https://api.elsevier.com/content/article/PII:S2667022424000112?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S2667022424000112?httpAccept=text/plain

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  3. 3
    Academic Journal
    Exploring the inhibition of VEGFR2 tyrosine kinase domain by a novel Schiff base: crystallographic and computational approaches towards anticancer potential

    المؤلفون: Keerthan, Kumar B., Sanjay, Srivatsan S., Maithra, N., Chethan, B.S., Pruthviraj, K, Niranajna, S.V., Chen, Chih-Hsin, Sunil, K, Lokanath, N.K.

    المصدر: Journal of Molecular Structure ; page 141552 ; ISSN 0022-2860

    الاتاحة: https://doi.org/10.1016/j.molstruc.2025.141552
    https://api.elsevier.com/content/article/PII:S0022286025002418?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0022286025002418?httpAccept=text/plain

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  4. 4
    Academic Journal
    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

    المؤلفون: Gowda, Darshini, Vinay Kumar, D.C., Gowda, Byresh, Chethan, B.S., Harsha, K.B., Shalini, V., Sudhanva, M.S., Shobith, R., Rangappa, K.S.

    المصدر: Journal of Molecular Structure ; volume 1330, page 141489 ; ISSN 0022-2860

    الاتاحة: https://doi.org/10.1016/j.molstruc.2025.141489
    https://api.elsevier.com/content/article/PII:S0022286025001784?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0022286025001784?httpAccept=text/plain

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  5. 5
    Academic Journal
    Structural elucidation and in-silico evaluation of 1,2,4-triazole derivative as potent Omicron variant of SARS-CoV-2 spike protein inhibitor with pharmacokinetics ADMET and drug-likeness predictions

    المؤلفون: Vinay Kumar, D.C., Chethan, B.S., V．, Shalini, Rangappa, K.S., Lokanath, N.K.

    المصدر: Journal of Molecular Structure ; volume 1297, page 136976 ; ISSN 0022-2860

    الاتاحة: http://dx.doi.org/10.1016/j.molstruc.2023.136976
    https://api.elsevier.com/content/article/PII:S0022286023020665?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0022286023020665?httpAccept=text/plain

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  6. 6
    Academic Journal
    Synthesis, crystal structure and thermal investigation of molecular salts of (R)-1-phenylethanamine combined with quantum chemical studies

    المؤلفون: Rajegowda, H.R., Chethan, B.S., Khan, Riyaz ur Rahaman, Lokanath, N.K., Suchetan, P.A., Kumar, P. Raghavendra

    المساهمون: Department of Science and Technology, Ministry of Science and Technology, India

    المصدر: Journal of Molecular Structure ; volume 1272, page 134097 ; ISSN 0022-2860

    الاتاحة: http://dx.doi.org/10.1016/j.molstruc.2022.134097
    https://api.elsevier.com/content/article/PII:S0022286022017483?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0022286022017483?httpAccept=text/plain

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  7. 7
    Academic Journal
    Structural and theoretical insights towards the understanding of the effect on the conformation of ligand by complexation process

    المؤلفون: Chethan, B.S., Rajegowda, H.R., Khan, Riyaz ur Rahaman, Lokanath, N.K.

    المساهمون: Department of Science and Technology, Ministry of Science and Technology, India

    المصدر: Journal of Molecular Structure ; volume 1276, page 134759 ; ISSN 0022-2860

    الاتاحة: http://dx.doi.org/10.1016/j.molstruc.2022.134759
    https://api.elsevier.com/content/article/PII:S002228602202405X?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S002228602202405X?httpAccept=text/plain

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  8. 8
    Academic Journal
    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

    المؤلفون: Venkata Padmaja, D., Rajegowda, H.R., Chethan, B.S., P, Krishnamurthy, Khan, Riyaz ur Rahaman, Suchetan, P.A., Lokanath, N.K., Somashekar, M.N., Jayashankar, B.

    المساهمون: Department of Science and Technology, Ministry of Science and Technology, India

    المصدر: Journal of Molecular Structure ; volume 1281, page 135041 ; ISSN 0022-2860

    الاتاحة: http://dx.doi.org/10.1016/j.molstruc.2023.135041
    https://api.elsevier.com/content/article/PII:S0022286023001424?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0022286023001424?httpAccept=text/plain

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  9. 9
    Academic Journal
    Synthesis, structural and exploration of non-covalent interactions of the palladium complex with the crystalline water molecule: A comprehensive quantum chemical approach

    المؤلفون: Chethan, B.S., Rajegowda, H.R., Padmaja, D.V., Lokanath, N.K.

    المساهمون: Department of Science and Technology, Ministry of Science and Technology, India

    المصدر: Journal of Molecular Structure ; volume 1274, page 134419 ; ISSN 0022-2860

    الاتاحة: http://dx.doi.org/10.1016/j.molstruc.2022.134419
    https://api.elsevier.com/content/article/PII:S0022286022020683?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0022286022020683?httpAccept=text/plain

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  10. 10
    Academic Journal
    Study of the crystal structure, H-bonding and noncovalent interactions of novel cocrystal by systematic computational search approach

    المؤلفون: Chethan, B.S., Lokanath, N.K.

    المساهمون: University of Mysore

    المصدر: Journal of Molecular Structure ; volume 1251, page 131936 ; ISSN 0022-2860

    الاتاحة: http://dx.doi.org/10.1016/j.molstruc.2021.131936
    https://api.elsevier.com/content/article/PII:S0022286021020573?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0022286021020573?httpAccept=text/plain

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  11. 11
    Academic Journal
    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

    المؤلفون: Somashekar, M.N., Chetana, P.R., Chethan, B.S., Rajegowda, H.R., Cooper, M.A., Ziora, Z.M., Lokanath, N.K., Ganapathy, P.S. Sujan, Srinatha, B.S.

    المساهمون: Department of Science and Technology, Ministry of Science and Technology, India

    المصدر: Journal of Molecular Structure ; volume 1255, page 132429 ; ISSN 0022-2860

    الاتاحة: http://dx.doi.org/10.1016/j.molstruc.2022.132429
    https://api.elsevier.com/content/article/PII:S0022286022001028?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0022286022001028?httpAccept=text/plain

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  12. 12
    Academic Journal
    Synthesis of novel chromeno-tethered imidazolone scaffold through one pot sequential multicomponent reaction mediated cyclization: A structural, computational and in silico investigation.

    المؤلفون: Chethan, B.S.1,2 (AUTHOR), Kannan, D.3 (AUTHOR), Udaya Kumar, A.H.2,4 (AUTHOR), Deepa Urs, M.V.5 (AUTHOR), Lingegowda, N.S.6 (AUTHOR), Lokanath, N.K.2 (AUTHOR), Naveen, S.1,7 (AUTHOR) s.naveen@jainuniversity.ac.in

    المصدر: Journal of Molecular Structure. Jan2025, Vol. 1320, pN.PAG-N.PAG. 1p.

    مصطلحات موضوعية: *MOLECULAR orbitals, *FRONTIER orbitals, *MOLECULAR dynamics, *DENSITY functional theory, *NATURAL orbitals


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  13. 13
    Recent Development in Hybrid Electrical Vehicle

    المؤلفون: Prashant Shrivastava, P. Dhanush, Amith A. Kulkarni, Thamme Gowda C.S, Chethan B.S

    المصدر: Indian Journal of Science and Technology. 12:1-6

    مصطلحات موضوعية: Engineering, Multidisciplinary, Hybrid electrical vehicle, business.industry, business, Automotive engineering

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ad0cb61fdf30252e639f35f0490c6fcd
    https://doi.org/10.17485/ijst/2019/v12i48/149388

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  14. 14
    Academic Journal
    Synthesis, Jahn-Teller labeled via crystal structure in trans-(ClO4)2CuII(Me2N-Py)4 complex: S9/S6/C-H...O synthons, thermal, physicochemical and 1BNA-docking.

    المؤلفون: AlAli, A., AlObaid, A., Chethan, B.S., Shalalin, K., Alzeqri, N., Alkanad, K., Lokanath, N.K., Zarrouk, A., Warad, I., Khanum, S.A.

    المصدر: Journal of King Saud University - Science; Sep2024, Vol. 36 Issue 8, pN.PAG-N.PAG, 1p

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  15. 15
    Periodical
    A novel pyrazole derivative as COVID-19main protease inhibitor: Synthesis, quantum computational studies, pharmacokinetic properties, drug likeness, molecular docking and dynamics simulation; a CADD approach

    المؤلفون: Rekharani, D., Shivalingegowda, Naveen, Mahesha, Urs, M.V. Deepa, Chethan, B.S., Krishnappagowda, Lokanath Neratur

    المصدر: Chemical Physics Impact; June 2024, Vol. 8 Issue: 1

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  16. 16
    EYE OF TIGER SIGN IN HALLERVORDEN SPATZ DISEASE (PANTOTHENATE KINASE II ASSOCIATED NEURODEGENERATION - PKAN): A RARE CASE REPORT

    المؤلفون: Chethan B.S, Yugandhara Shah

    المصدر: Journal of Evolution of Medical and Dental sciences. 2:9641-9644

    مصطلحات موضوعية: Dystonia, Pathology, medicine.medical_specialty, medicine.diagnostic_test, business.industry, Neurodegeneration, Physical examination, medicine.disease, Dysarthria, Gliosis, medicine, Dementia, Pantothenate kinase, medicine.symptom, business, Pathological

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::10e01478bf1a1de93be78ebcd766cf10
    https://doi.org/10.14260/jemds/1670

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  17. 17
    Academic Journal
    Exploring the structural intricacies of 1D HOF in a novel hydrazone derivative exhibiting anticancer potential: A crystallographic and computational approach

    المؤلفون: Maithra, N., Sanjay Srivatsan, S., Keerthan Kumar, B., Chethan, B.S., Pruthviraj, K, Vinay Kumar, D.C., Kirthan, B.R., Prabhakara, M.C., Lokanath, N.K.

    المصدر: Journal of Molecular Structure ; volume 1322, page 140523 ; ISSN 0022-2860

    الاتاحة: https://doi.org/10.1016/j.molstruc.2024.140523
    https://api.elsevier.com/content/article/PII:S002228602403031X?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S002228602403031X?httpAccept=text/plain

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  18. 18
    Academic Journal
    Synthesis, biological evaluation of novel pyridine derivative as antibacterial agent: DFT, molecular docking and ADMET studies.

    المؤلفون: Hamsaveni, M.1 (AUTHOR), Hegde, Ruthu Ramachandra1 (AUTHOR), Sahana, B.1 (AUTHOR), Chethan, B.S.1,2 (AUTHOR), Pruthviraj, K.3 (AUTHOR), Maithra, N.1 (AUTHOR), Vinay Kumar, D.C.1 (AUTHOR), Niranjana, S.V.1,4 (AUTHOR), Sunil, K.3 (AUTHOR), Lokanath, N.K.1 (AUTHOR) lokanath@physics.uni-mysore.ac.in

    المصدر: Journal of Molecular Structure. Dec2024:Part 1, Vol. 1318, pN.PAG-N.PAG. 1p.

    مصطلحات موضوعية: *NATURAL orbitals, *MOLECULAR docking, *DENSITY functional theory, *MOLECULAR dynamics, *ELECTRIC potential

    Reviews & Products: VEDAS


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