Dr. Lohith T N
Assistant Professor
Department of Physics
![]() |
Email: | lohithtn@nie.ac.in |
![]() |
Phone No: | 96205 04032 |
![]() |
About Me: |
I am working as an assistant professor of physics in the National Institute of Engineering since 2023. I have been awarded a doctoral degree in 2024 under the supervision of Prof. Sridhar M.A., from University of Mysore, on ‘Molecular Structure and DFT Studies of Some Compounds of Biological Interest’. My primary research interest is in the field of Crystallography and computational studies like DFT, molecular docking, and molecular dynamics simulations. My research study enables to investigate the various physicochemical, and biological, properties of the various organic compounds for a specific target applications. My research findings have been continuously published in many international peer reviewed journals. Till date, I have published more than 30 research articles. |

- M.Sc. (Tumkur Uuniversity)(Specialization: Material Science)
- Ph.D (University of Mysore)
- Assistant Professor
List of Publications:
- Neetha, S., Lohith, T. N., Santhosh, C., Sheela, K., Singh, K. R., Sridhar, M. A., Sadashiva, M. P. (2024). A comprehensive analysis of the molecular packing in the crystal of (4-methoxyphenyl) methyl 4-(4-chlorophenyl)-1, 3-thiazole-2-carboxylate: Insights of X-ray crystallography and DFT analysis. Journal of Molecular Structure, 139584.
- Deviprasad M. J., Hemanth B. S., Shivaswamy M. B., Nagendra Prasad H. S., Sumathi S., Aswathy R., Sangamesha M. A., Ananda A. P., Jayanth H. S., Lohith T. N., (2024). Multifunctional Citral–Tryptamine Conjugated Silver Nanoparticles (CT@ AgNPs): Antibacterial, Cytotoxicity, and Sensor Application. BioNanoScience, 1-16.
- Lohith T.N., Ravi Singh K., Santhosh C., Sridhar M.A., Sadashiva M.P., Rationalizing the stability and noncovalent interactions of N-(benzo [d][1, 3] dioxol-5-ylmethyl)-2-(methylthio) thiazole-4-carboxamide: Insights from X‐ray structure and QTAIM analysis. Journal of Molecular Structure, 1319, 139407.
- Lohith T. N., Chandra, Gayathri B. H., Shamantha Kumar, Shivaprasad C. M., Divya K., Sridhar M. A., Mahendra M. A new Thiadiazole-triazine derivative: structural investigation, DFT studies, ADME-T analysis and SARS-CoV-2 activity by docking simulation, Journal of Molecular Structure., (2024), 1317, 139133.
- Pruthviraj, K., Chethan, B. S., Lohith, T. N., NS, D. B., Chandrakumar, R., Kumar, M., ... & Sunil, K. (2024). Synthesis, evaluation of antimicrobial activity, and DFT analysis of 1-(4, 5-diphenyl-1H-imidazol-2-yl) naphthalen-2-ol. Indian Journal of Pharmacy & Drug Studies, 3(2).
- Kumar, D. V., Kumar, S., Murthy, K. N., Rajesh, B. M., & Lohith, T. N. (2024). Ordering self-assembly structures via NH⋯S and Br⋯S interactions in (E)-2-(4-bromobenzylidene) hydrazinecarbothioamide: insights from crystallographic and computational study. Journal of Molecular Structure, 138285.
- Hemanth, B. S., Deviprasad, M. J., Shivaswamy, M. B., Sumathi, S., Aswathy, R., Sangamesha, M. A., ... & Lohith, T. N. (2024). Synthesis of Citral-Tryptamine Fused Selenium Nanospheres (CT@ SeNP's) and Exploration of their Anticancer, Antibacterial, and Electrochemical Sensor Applications. Journal of Molecular Structure, 138240.
- Lohith T. N., Santhosh C, Benedict Leoma Mofeli, Isamura B. K., Karthik V., Ravi Singh K., Sridhar M. A., Sadashiva M. P., (2024). Unraveling the crystal structure, stability and drug likeness of 1, 3, 4-oxadiazole derivatives against Myelofibrosis: a combined experimental and computational investigation. Journal of Biomolecular Structure and Dynamics, 1-15.
- Usha, M. K., Lohith, T. N., Manjula, M., Shetty, S., Kalluraya, B., Revannasiddaiah, D., & Sridhar, M. A. (2024). Synthesis, crystal structure, Hirshfeld surface analysis, energy frameworks, and DFT calculations of (2 e)-3-(dimethylamino)-1-[5-methyl-1-(4-nitrophenyl)-1 h-1, 2, 3-triazol-4-yl] prop-2-en-1-one. Molecular Crystals and Liquid Crystals, 1-16.
- Krishnamurthy, C., Keshavayya, J., Yesudhasan, C., Siva, A., Lohith, T. N., & Sridhar, M. A. (2023). Synthesis, Characterization, and Photophysical Probing Interaction Studies on Azo‐Sulfonamides Acting as Potent Anti‐Tubercular Agents. ChemistrySelect, 8(41), e202300078.
- Dileep C. S., Lohith T. N., Isamura, B. K., Leoma, M. B., Mokgopa, K. P., Sridhar M. A., Ningaiah, S. (2023). The Thiadiazole Ring (THD) Is a Building Block for Potential Inhibitors of the SARS-CoV-2 Main Protease (Mpro): Theoretical Look into the Structure, Reactivity, and Binding Profile of Three 1, 3, 4-THD Derivatives toward Mpro. Engineering Proceedings, 59(1), 94.
- Probing the hydrogen bond network in the crystal structure of a sulfonamide derivative: A quantum chemical approach: Lohith T.N., Hema M.K., Karthik C.S., Sandeep S., Jothi R.R., Muthusamy K., Lokanath N.K., Mallesha L., Mallu P., Sridhar M.A., Journal of Molecular Structure, 1289 (2023) 1. (IF: 3.4, Citations:1, ISSN: 0022-2860)
- Structure property relationship in two thiazole derivatives: Insights of crystal structure, Hirshfeld surface, DFT, QTAIM, NBO and molecular docking studies: Ravi Singh K., Lohith T.N., Ananth Nag T., Sridhar M.A., Sadashiva M.P., Molecular Crystals and Liquid Crystals, 755 (2023) 1. (IF: 0.80, ISSN:1563-5287)
- Crystal structure studies, Hirshfeld surface analysis, 3D energy frameworks, computational studies and docking analysis of a 2-(4-nitrophenyl)-2-oxoethyl 2-methoxybenzoate: Sahana D., Dileep C.S., Lohith T.N., Akhileshwari P., Srikantamurthy N., Chandra, Rajesh B.M., Gopalkrishne Urs R., Sridhar M.A., Journal of Molecular Structure, 128 (2023) 1. (IF: 3.4, ISSN: 0022-2860).
- Synthesis, structure elucidation, energy frameworks, and DFT calculations of 2,5-diphenyl-1,3,4-thiadiazole: Chandini K.M., Lohith T.N., Shamanth S., Sridhar M.A., Mantelingu K., Lokanath N.K., Journal of Molecular Structure, 1283 (2023) 1. (IF: 3.4, ISSN: 0022-2860).
- Analyses of the structure and supramolecular organisation of 2-E-((4-hydroxyphenyl) diazenyl) benzoic acid: Dileep C.S., Sahana D., Lohith T.N., Bienfait Kabuyaya Isamura, Sridhar M.A., Jahnavi V., Sandhya Rani N., Chemical Data Collections, 47 (2023) 1. (IF: 0.217, ISSN: 2405-8300).
- Synthesis, structure elucidation, hirshfeld surface, DFT studies of Hydrazide derivative: Experimental and theoretical approach: Sahana D., Dileep C.S., Lohith T.N., Srikantamurthy N., Gopalkrishne R Urs, Sridhar M.A., Chemical Data Collections, 45 (2023) 1. (IF: 0.217, ISSN: 2405-8300).
- Persistent prevalence of non-covalent interaction in pyrimidine containing sulfonamide derivative: A quantum computational analysis: Lohith T.N., Hema M.K., Karthik C.S., Sandeep S., Mallesha L., Norah S.A., Sridhar M.A., Khadijh M.K., Khamael M.A., Lokanath N.K., Mallu P., Kumaraswamy S.R., Journal of Molecular Structure, 1266 (2022) 1. (IF: 3.4, Citations:15, ISSN: 0022-2860).
- Synthesis, molecular structure, Hirshfeld surface, energy framework and DFT studies of 1,3,4 oxadiazole derivative: Lohith T.N., Shamanth S., Sridhar M.A., Mantelingu K., Lokananth N.K., Journal of Molecular Structure, 1252 (2022) 1. (IF: 3.4, Citations:15, ISSN: 0022-2860).
- N-[2-(5-bromo-2-chloro-pyrimidin-4-yl)thio)-4-methoxy-phenyl]-4-chlorobenzenesulfonamide: The existence of H-bond and halogen bond interactions assisted supramolecular architecture - A quantum chemical investigation: Lohith T.N., Hema M.K., Karthik C.S., Sandeep S., Mallesha L., Mallu P., Jothi Ramalingam R., Sirdhar M.A., Muthusamy K., Lokanath N.K., Journal of Molecular Structure, 1267 (2022) 1. (IF: 3.4, Citations:10, ISSN: 0022-2860).
- SARS-CoV-2 Mpro binding profile and drug-likeness of two novel thiazole derivatives: structural elucidation, DFT studies, ADME-T and molecular docking simulations: Lohith T.N., Ravi Singh K., Isamura B.K., Vinaykumar K.S., Sridhar M.A., Sadashiva M.P., Journal of Biomolecular Structure and Dynamics, - (2022) 1. (IF: 5.213, Citations : 4, ISSN: 1538-0254).
- Design, synthesis, molecular docking and DFT computational insight on the structure of Piperazine sulfynol derivatives as a new antibacterial contender against superbugs MRSA: Nagendra Prasad H.S., Ananda A.P., Lohith T.N., Prabhuprasad P., Jayanth H.S., Krishnamurthy N.B., Sridhar M.A., Mallesha L., Mallu P., Journal of Molecular Structure, 1247 (2022) 1. (IF: 3.4, Citations:17, ISSN: 0022-2860).
- Synthesis, characterizations of new Schiff base heterocyclic derivatives and their optoelectronic, computational studies with level II & III features of LFPs: Upendranath K., Venkatesh T., Lohith T.N., Sridhar M.A., Journal of Molecular Structure, 1264 (2022) 1. (IF: 3.4, Citations: 5, ISSN: 0022-2860).
- Synthesis, structure elucidation, Hirshfeld surface analysis, energy frameworks and DFT studies of novel ethyl 2-(5-methyl-2-oxopyridin-N-yl)acetate (OPA): Chandini K.M., Fares H.A., Lohith T.N., Murad Q.A., Basheer M.A., Sridhar M.A., Shaukath A.K., Journal of Molecular Structure, 1270 (2022) 1. (IF: 3.4, Citations: 4, ISSN: 0022-2860).
- Antibacterial Property of Schiff-based Piperazine against MRSA: Design, Synthesis, Molecular Docking, and DFT Computational Studies: Nagendra Prasad H.S., Navyatha P.G., Ananda A.P., Amogh M., Charan Kumar G., Lohith T.N., Jayanth H.S., Krishnamurthy N.B., Sridhar M.A., Mallu P., Letters in Applied NanoBioScience, 12 (2022) 1. (Citations: 4, ISSN: 2284-6808).
- Coumarin-Benzothiazole Based Azo Dyes: Synthesis, Characterization, Computational, Photophysical and Biological Studies: Manjunatha B., Yadav D. Bodke., Nagaraja O., Lohith T.N., Nagaraju G., Sridhar M.A., Journal of Molecular Structure, 1246 (2021) 1. (IF: 3.4, Citations: 33, ISSN: 0022-2860).
- Novel Isoxazolone Based Azo Dyes: Synthesis, Characterization, Computational, Solvatochromic UV-Vis Absorption and Biological Studies: Manjunatha B., Yadav D.B., Sandeep Kumar J.R., Lohith T.N., Sridhar M.A., Journal of Molecular Structure, 1244 (2021) 1. (IF: 3.4, Citations: 20, ISSN: 0022-2860).
- Molecular iodine catalyzed solvent free one pot synthesis, characterization, in-silico ADME, hERG analysis, molecular docking studies and DFT analysis of 2-substituted 4,5-diphenyl-1h-imidazole derivatives: Pruthviraj K., Lohith T.N., Yeshwanth M., Usha G.H., Vanajakshi H.V., Venugopal K.B., Krishnaswamy G., Shivaraja G., Fathima Z., Sridhar M.A., Sreenivasa S., Journal of Advanced Scientific Research, 12 (4) (2021) 211. (IF: 0.568, Citations: 1, ISSN: 0976-9595).
- Synthesis and detailed characterization of a newly synthesized chalcone,3-(2,5-dimethoxyphenyl)-1-(naphthalen-2-yl)prop-2-en-1-one: Madhu Kumar D.J., Akhileshwari P., Sridhar M.A., Lohith T.N., Nagaraju S., Raghavendra S., Manasa D.J., European Journal of Chemistry, 12(1) (2021) 69. (IF: 0.6, Citations: 1, ISSN : 2153-2257).
- N-[(2-Chlorophenyl)sulfonyl]-3-nitro-benzamide, Sreenivasa S., Darshan D., Lohith T.N., Mamatha G.R., Palakshamurthy B.S., Suchetan P.A., Acta Crystallographica Section E: Structure Reports, (2013). E69, o1090. (IF: 0.261, ISSN: 1600-5368).
- N-(3-Methoxybenzoyl)-4-methyl-benzenesulfonamide, Sreenivasa S, Palakshamurthy B.S., Lohith T.N., Mohan N.R., Vijith Kumar, Suchetan P.A., Acta Crystallographica Section E: Structure Reports, (2013). E69, o1263. (IF: 0.261, ISSN: 1600-5368).
- Physico-Chemical Analysis of Selected Groundwater Samples of Tumkur District, Karnataka, Nirmala B., Suchetan P.A., Darshan D., Sudha A.G., Lohith T.N., Suresh E., Mamatha G.R., International Journal of ChemTech Research, (2013). 5(1), (IF: 0.819, ISSN: 0974-4290).
- Engineering Physics (Both theory and practical).