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Mahesha and Hema, M. K. and Karthik, C. S. and Udaya Kumar, A. H. and Pampa, K. J. and Mallu, P. and Lokanath, N. K. (2023) Structural conformation and coordination architecture investigation in the solvent induced cis Cu(II) complex containing fluorine-substituted beta-diketonate ligand. Journal of Molecular Structure, 1272. ISSN 1872-8014
Renganathan, R. R. Arun and Karthik, C. S. and Lokanath, N. K. and Rai, V. Ravishankar and Hema, M. K. (2022) Extraction of itaconic acid by endophytic Aspergillus sp., isolated from Garcinia indica: Spectroscopic, structural and quantum computational studies. Journal of Molecular Structure, 1268. ISSN 1872-8014
Nanjundaswamy, S. and Jayashankar, J. and Renganathan, R. R. Arun and Karthik, C. S. and Mallesha, L. and Mallu, P. and Rai, V. Ravishankar (2022) Pyridine coupled pyrazole analogues as lethal weapon against MRSA: An in-vitro and in-silico approach. Microbial Pathogenesis, 166. ISSN 1096-1208
Nanjundaswamy, S. and Bindhu, S. and Renganathan, R. R. Arun and Nagashree, S. and Karthik, C. S. and Mallu, P. and Rai, V. Ravishankar (2022) Design, synthesis of pyridine coupled pyrimidinone/pyrimidinthione as anti-MRSA agent: Validation by molecular docking and dynamics simulation. Journal of Biomolecular Structure & Dynamics, 40 (22). pp. 12106-12117. ISSN 1538-0254
Mahesha and Pampa, K. J. and Karthik, C. S. and Hema, M. K. and Mallu, P. and Lokanath, N. K. (2021) Post-synthetic modification of supramolecular assemblies of β-diketonato cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies. CrystEngComm, 23 (24). pp. 4344-4369.
Karthik, C. S. and Kumara, Karthik and Naveen, S. and Mallesha, L. and Mallu, P. and Urs, M. V. Deepa and Lokanath, N. K. (2021) Thermal, optical, etching, structural studies and theoretical calculations of 1-(2, 5-Dichloro-benzenesulfonyl)-piperidin-4-yl]-(2,4-difluoro-phenyl)-methan one oxime. Journal of Molecular Structure, 1224.
Hema, M. K. and Renganathan, R. R. Arun and Swamy, S. Nanjunda and Karthik, C. S. and Pampa, K. J. and Mallu, P. and Rai, V. Ravishankar and Lokanath, N. K. (2020) 4,4,4-Trifluoro-1-(thiophen-2-yl)butane-1,3-dione nickel(II) complex: Synthesis, structure, quantum chemical and DNA binding studies. Journal of Molecular Structure, 1202. ISSN 1872-8014
Hema, M. K. and ArunRenganathan, R. R. and Nanjundaswamy, S. and Karthik, C. S. and Mohammed, Yasser Hussein Issa and Alghamdi, Saad and Lokanath, N. K. and Rai, V. Ravishankar and Nagashree, S. and Mallu, P. (2020) N -(4-bromobenzylidene)-2,3-dihydrobenzob]1,4]dioxin-6-amine: Synthesis, crystal structure, docking and in -vitro inhibition of PLA2. JOURNAL OF MOLECULAR STRUCTURE, 1218. ISSN 0022-2860
Hema, M. K. and Arun Renganathan, R. R. and Nanjundaswamy, S. and Karthik, C. S. and Mohammed, Y. H. I. and Alghamdi, S. and Lokanath, N. K. and Ravishankar Rai, V. and Nagashree, S. and Mallu, P. (2020) N-(4-bromobenzylidene)-2,3-dihydrobenzob1,4dioxin-6-amine: Synthesis, crystal structure, docking and in-vitro inhibition of PLA2. Journal of Molecular Structure, 1218.
Mahesha and Hema, M. K. and Karthik, C. S. and Pampa, K. J. and Mallu, P. and Lokanath, N. K. (2020) Solvent induced mononuclear and dinuclear mixed ligand Cu(ii) complex: structural diversity, supramolecular packing polymorphism and molecular docking studies. New Journal of Chemistry, 44 (41). pp. 18048-18068. ISSN 1369-9261
Hema, K. and Karthik, C. S. and Lokanath, N. K. and Mallu, P. and Zarrouk, Abdelkader and Salih, Kifah S. M. and Warad, Smail (2020) Synthesis of novel Cubane Ni-4(O boolean AND O)(4) (OCH3)(4)(OOH)(4)] cluster: XRD/HSA-interactions, spectral, DNA-binding, docking and subsequent thermolysis to NiO nanocrystals. Journal of Molecular Liquids, 315.
Hema, M. K. and Warad, Ismail and Karthik, C. S. and Zarrouk, Abdelkader and Kumara, Karthik and Pampa, K. J. and Mallu, P. and Lokanath, N. K. (2020) XRD/DFT/HSA-interactions in Cu(II)Cl/phen/beta-diketonato complex: Physicochemical, solvatochromism, thermal and DNA-binding analysis. Journal of Molecular Structure, 1210. ISSN 1872-8014
Karthik, C. S. and Manukumar, H. M. and Sandeep, S. and Sudarshan, B. L. and Nagashree, S. and Mallesha, L. and Rakesh, K. P. and Sanjay, K. R. and Mallu, P. and Qin, Hua-Li (2018) Development of piperazine-1-carbothioamide chitosan silver nanoparticles (P1C-Tit*CAgNPs) as a promising anti-inflammatory candidate: a molecular docking validation. Med. Chem. Commun., 9. pp. 713-724. ISSN 2040-2511
Karthik, C. S. and Manukumar, H. M. and Sandeep, S. and Sudarshan, B. L. and Nagashree, S. and Mallesha, L. and Rakesh, K. P. and Sanjay, K. R. and Mallu, P. and Qin, H. L. (2018) Development of piperazine-1-carbothioamide chitosan silver nanoparticles (P1C-Tit∗CAgNPs) as a promising anti-inflammatory candidate: A molecular docking validation. MedChemComm, 9 (4). pp. 713-724.
Hema, M. K. and Karthik, C. S. and Warad, Ismail and Lokanath, N. K. and Zarrouk, Abdelkader and Kumara, Karthik and Pampa, K. J. and Mallu, P. (2018) Regular square planer bis-(4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione)/copper(II) complex: Trans/cis-DFT isomerization, crystal structure, thermal, solvatochromism, hirshfeld surface and DNA-binding analysis. Journal of Molecular Structure, 1157. 69 - 77. ISSN 0022-2860
Karthik, C. S. and Manukumar, H. M. and Ananda, A. P. and Nagashree, S. and Rakesh, K. P. and Mallesha, L. and Qin, Hua-Li and Umesha, S. and Mallu, P. and Krishnamurthy, N. B. (2018) Synthesis of novel benzodioxane midst piperazine moiety decorated chitosan silver nanoparticle against biohazard pathogens and as potential anti-inflammatory candidate: A molecular docking studies. International Journal of Biological Macromolecules, 108. 489 - 502. ISSN 1879-0003
