Renjith Thomas

Best Publications

• Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.

  Anna Kohlmann;Stephan G. Zech;Feng Li;Tianjun Zhou

  110
  Citations

• Synthesis and spectroscopic study of three new oxadiazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential

  Renjith Thomas;Y. Sheena Mary;K.S. Resmi;B. Narayana

  103
  Citations

• Synthesis, spectral properties, chemical descriptors and light harvesting studies of a new bioactive azo imidazole compound

  Veena S. Kumar;Y. Sheena Mary;Kiran Pradhan;Dhiraj Brahman

  93
  Citations

• Synthesis of Schiff base (E)-4-((2-hydroxy-3,5-diiodobenzylidene)amino)-N-thiazole-2-yl)benzenesulfonamide with antimicrobial potential, structural features, experimental biological screening and quantum mechanical studies

  N. Elangovan;Renjith Thomas;S. Sowrirajan

  92
  Citations

• Two neoteric pyrazole compounds as potential anti-cancer agents: Synthesis, electronic structure, physico-chemical properties and docking analysis

  Renjith Thomas;Y. Sheena Mary;K.S. Resmi;B. Narayana

  91
  Citations

• Synthesis, spectral and quantum mechanical studies and molecular docking studies of Schiff base (E)2-hydroxy-5-(((4-(N-pyrimidin-2-yl)sulfamoyl)phenyl)imino)methyl benzoic acid from 5-formyl salicylic acid and sulfadiazine

  N. Elangovan;Renjith Thomas;S. Sowrirajan;Ahmad Irfan;Ahmad Irfan

  84
  Citations

• Evidence of cluster formation of pyrrole with mixed silver metal clusters, Agx-My (x=4,5, y=2/1 and M=Au/Ni/Cu) using DFT/SERS analysis

  Unknown

  82
  Citations

• Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential

  Unknown

  79
  Citations

• Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools

  Shargina Beegum;Y. Sheena Mary;Y. Shyma Mary;Renjith Thomas

  73
  Citations

• Structural and physico-chemical evaluation of melatonin and its solution-state excited properties, with emphasis on its binding with novel coronavirus proteins

  Nabil Al-Zaqri;Nabil Al-Zaqri;T. Pooventhiran;Ali Alsalme;Ismail Warad

  73
  Citations

• Detailed spectra, electronic properties, qualitative non-covalent interaction analysis, solvatochromism, docking and molecular dynamics simulations in different solvent atmosphere of cenobamate

  T. Pooventhiran;Utsab Bhattacharyya;D. Jagadeeswara Rao;Vivek Chandramohan

  66
  Citations

• Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

  Renjith Thomas;Mossaraf Hossain;Y. Sheena Mary;K.S. Resmi

  65
  Citations

• Synthesis, Spectral Characterization, Electronic Structure and Biological Activity Screening of the Schiff Base 4-((4-Hydroxy-3-Methoxy-5-Nitrobenzylidene)Amino)-N-(Pyrimidin-2-yl)Benzene Sulfonamide from 5-Nitrovaniline and Sulphadiazene

  N. Elangovan;Renjith Thomas;S. Sowrirajan;K. P. Manoj

  65
  Citations

• Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea

  Anna Bielenica;Shargina Beegum;Y. Sheena Mary;Y. Shyma Mary

  64
  Citations

• Theoretical Studies on the Structure and Various Physico-Chemical and Biological Properties of a Terphenyl Derivative with Immense Anti-Protozoan Activity

  Y. Sheena Mary;Y. Shyma Mary;Renjith Thomas;B. Narayana

  57
  Citations

• Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study

  Mossaraf Hossain;Renjith Thomas;Y. Sheena Mary;K.S.Resmi

  57
  Citations

• Spectroscopic, quantum mechanical studies, ligand protein interactions and photovoltaic efficiency modeling of some bioactive benzothiazolinone acetamide analogs

  Y. Sheena Mary;Gözde Yalcin;Gözde Yalcin;Y. Shyma Mary;K. S. Resmi

  56
  Citations

• Hybrid and bioactive cocrystals of pyrazinamide with hydroxybenzoic acids: Detailed study of structure, spectroscopic characteristics, other potential applications and noncovalent interactions using SAPT

  Jamelah S. Al-Otaibi;Y. Sheena Mary;Stevan Armaković;Renjith Thomas

  56
  Citations

• Conformational profile, vibrational assignments, NLO properties and molecular docking of biologically active herbicide1,1-dimethyl-3-phenylurea.

  K. Haruna;Veena S. Kumar;Y. Sheena Mary;S.A. Popoola

  56
  Citations

• Cocrystals of pyrazinamide with p-toluenesulfonic and ferulic acids: DFT investigations and molecular docking studies

  Jamelah S. Al-Otaibi;Y. Sheena Mary;Y. Shyma Mary;C. Yohannan Panicker

  54
  Citations