Novel Isoxazolone Based Azo Dyes: Synthesis, Characterization, Computational, Solvatochromic UV-Vis Absorption and Biological Studies
B, Manjunatha, Bodke, Yadav D., R, Sandeep kumar Jain, N, Lohith T., A, Sridhar M.
Published in Journal of molecular structure (15.11.2021)
Published in Journal of molecular structure (15.11.2021)
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Journal Article
A new Thiadiazole-triazine derivative: Structural investigation, DFT studies, ADME-T analysis and SARS-CoV-2 activity by docking simulation
T․ N․, Lohith, Chandra, B․ H․, Gayathri, Kumar, Shamantha, C․ M․, Shivaprasad, K․, Divya, M․ A․, Sridhar, M․, Mahendra
Published in Journal of molecular structure (05.12.2024)
Published in Journal of molecular structure (05.12.2024)
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Journal Article
Synthesis, spectroscopic characterization, DFT calculations, in silico-ADMET and molecular docking analysis of novel quinoline-substituted 5H-chromeno [2,3-b] pyridine derivatives as antibacterial agents
Kancherla, Rajesh, Lohith, T N, Deshmukh, Sushma, Mulka, Shekhar Reddy, Kuruvalli, Gouthami, Reddy, M B Madhusudana
Published in Molecular diversity (23.09.2024)
Published in Molecular diversity (23.09.2024)
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Journal Article
Synthesis, crystal structure, Hirshfeld surface analysis, energy frameworks, and DFT calculations of (2e)-3-(dimethylamino)-1-[5-methyl-1-(4-nitrophenyl)-1h-1,2,3-triazol-4-yl]prop-2-en-1-one
Usha, M. K., Lohith, T. N., Manjula, M., Shetty, Shobhitha, Kalluraya, Balakrishna, Revannasiddaiah, D., Sridhar, M. A.
Published in Molecular Crystals and Liquid Crystals (12.04.2024)
Published in Molecular Crystals and Liquid Crystals (12.04.2024)
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Journal Article
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.
Published in Molecular Crystals and Liquid Crystals (22.09.2023)
Published in Molecular Crystals and Liquid Crystals (22.09.2023)
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Journal Article
N -[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide
Sreenivasa, S., Darshan, D, Lohith, T. N., Mamatha, G. R., Palakshamurthy, B. S., Suchetan, P. A.
Published in Acta crystallographica. Section E, Structure reports online (01.07.2013)
Published in Acta crystallographica. Section E, Structure reports online (01.07.2013)
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Journal Article
Synthesis, characterizations of new Schiff base heterocyclic derivatives and their optoelectronic, computational studies with level II & III features of LFPs
Upendranath, K., Venkatesh, Talavara, Lohith, T.N., Sridhar, M.A.
Published in Journal of molecular structure (15.09.2022)
Published in Journal of molecular structure (15.09.2022)
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Journal Article
Synthesis, spectroscopic characterization, DFT calculations, in silico-ADMET and molecular docking analysis of novel quinoline-substituted 5H-chromeno 2,3-b pyridine derivatives as antibacterial agents
Kancherla, Rajesh, Lohith, T N, Deshmukh, Sushma, Mulka, Shekhar Reddy, Kuruvalli, Gouthami, Reddy, M B Madhusudana
Published in Molecular diversity (23.09.2024)
Published in Molecular diversity (23.09.2024)
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Journal Article
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
T․N․, Lohith, K․, Ravi Singh, C․, Santhosh, M․A․, Sridhar, M․P․, Sadashiva
Published in Journal of molecular structure (05.01.2025)
Published in Journal of molecular structure (05.01.2025)
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Journal Article
Ordering self-assembly structures via N H⋯S and Br⋯S interactions in (E)-2-(4-bromobenzylidene)hydrazinecarbothioamide : Insights from crystallographic and computational study
Chandra, D․C․, Vinay Kumar, Kumar, Shamantha, K․H․, Narasimha Murthy, B․M․, Rajesh, T․N․, Lohith
Published in Journal of molecular structure (15.08.2024)
Published in Journal of molecular structure (15.08.2024)
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Journal Article
Design, synthesis, molecular docking and DFT computational insight on the structure of Piperazine sulfynol derivatives as a new antibacterial contender against superbugs MRSA
Prasad, H. S. Nagendra, Ananda, A.P., Lohith, T.N., Prabhuprasad, P., Jayanth, H.S., Krishnamurthy, N.B., Sridhar, M.A., Mallesha, L., Mallu, P.
Published in Journal of molecular structure (05.01.2022)
Published in Journal of molecular structure (05.01.2022)
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Journal Article
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., Alsaiari, Norah Salem, Sridhar, M.A., Katubi, Khadijah M., Abualnaja, Khamael M., Lokanath, N.K., Mallu, P., Kumaraswamy, S.R.
Published in Journal of molecular structure (15.10.2022)
Published in Journal of molecular structure (15.10.2022)
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Journal Article
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
S․, Neetha, T․N․, Lohith, C․, Santhosh, K․, Sheela, K․, Ravi Singh, M․A․, Sridhar, M․P․, Sadashiva
Published in Journal of molecular structure (05.01.2025)
Published in Journal of molecular structure (05.01.2025)
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Journal Article
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., S, Sandeep, Rajabathar, Jothi Ramalingam, Karnan, Muthusamy, Lokanath, N.K., Mallesha, L., Mallu, P., Sridhar, M.A.
Published in Journal of molecular structure (05.10.2023)
Published in Journal of molecular structure (05.10.2023)
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Journal Article
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, Sridhar, M.A., Karnan, Muthusamy, Lokanath, N.K.
Published in Journal of molecular structure (05.11.2022)
Published in Journal of molecular structure (05.11.2022)
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