About Me

  • Phone:
    (+91)4712784100 (+91)4712700777
  • Email:
    manojtk@iiitmk.ac.in
  • Theoretical Organic Chemistry
  • Modeling of nano-mechanical systems and molecular clusters
  • Modeling of biomolecules and enzyme reactions
  • Non-bonded interactions
  • Theoretical studies on organometallic systems
  • Modeling of Non-classical Molecules
  • Synthesis of nanoparticles
  • Theoretical studies on following systems
  • Keto-enol tautomerism in biological and organic reactions
  • Closed Cage Tungsten clusters
  • Ab-intio studies of ene reactions
  • Studies on Cylophanes
  • Quinones in Photosynthetic reaction center
  • Quinones in fuel cells
  • ARYA (JS), JOSEPH (MM), SHERIN (DR), NAIR (JB), MANOJKUMAR (TK), MAITI (KK), Exploring Mitochondria-Mediated Intrinsic Apoptosis by New Phytochemical Entities: An Explicit Observation of Cytochrome c Dynamics on Lung and Melanoma Cancer Cells, Journal of Medicinal Chemistry, ACS Publications; 8311-8329; Aug 2019
  • THOMAS (AM), SHERIN (DR), ASHA (S), MANOJKUMAR (TK), ANILKUMAR (G), Exploration of the mechanism and scope of the CuI/DABCO catalysed CS coupling reaction, Polyhedron, Accepted for publication, 2020
  • AKHILA (VR), PRIYA (MR), SHERIN (DR), KRISHNAPRIYA (GK), KEERTHI (SV), MANOJKUMAR (TK), RAJASEKHARAN (KN), Mechanochemical Synthesis, in vitroEvaluation and Molecular Docking Studies of 4-Amino-2-arylamino-5-(benzofuran-2-oyl) thiazoles as Antidiabetic Agents, Letters in Organic Chemistry 16; 560-568; 2019
  • SHERIN (DR), GEETHU (CK), PRABHAKARAN (J), MANN (JJ), KUMAR (JD), MANOJKUMAR (TK), Molecular docking, dynamics simulations and 3D-QSAR modeling of arylpiperazine derivatives of 3, 5-dioxo-(2H, 4H)-1, 2, 4-triazine as 5-HT1AR agonists, Computational biology and chemistry, Elsevier 78; 108-115;2019
  • PRABHA (B), SINI (S), SHERIN (DR), NEETHU (S), RAMESHKUMAR (KB), MANOJKUMAR (TK), JAYAMURTHY (P), RADHAKRISHNAN (KV), Promalabaricone B from Myristica fatua Houtt. seeds demonstrate antidiabetic potential by modulating glucose uptake via the upregulation of AMPK in L6 myotubes, Natural product research, Taylor & Francis; 1-6; 2019
  • PRABHA (B), NEETHU (S), KRISHNAN (SL), SHERIN (DR), MADHUKRISHNAN (M), ANANTHAKRISHNAN (R), RAMESHKUMAR (KB), MANOJKUMAR (TK), JAYAMURTHY (P), RADHAKRISHNAN (KV), Antidiabetic potential of phytochemicals isolated from the stem bark of Myristica fatua Houtt. var. magnifica (Bedd.) Sinclair, Bioorganic & medicinal chemistry Elsevier 26; 3461-3467;26(12); 2018
  • RAMESAN (MT), JAYAKRISHNAN (P), MANOJKUMAR (TK), MATHEW (G), Structural, mechanical and electrical properties biopolymer blend nanocomposites derived from poly (vinyl alcohol)/cashew gum/magnetite, Materials Research Express
    5(1):015308; 2018
  • SHERIN DR, MANOJKUMAR (TK), RAJASEKHARAN KN, Logic Operations Based on Analyte Response of CRANAD‐1: A Simple Molecular Switch Acts as Acid‐Base Sensor, ChemistrySelect. 3(1):170-5; 2018
  • SUNNY (CM), NITHYA (S), SINSHI (KS), VINODINI (MV), LAKSHMI (KA), ANJANA (S), MANOJKUMAR (TK), Forecasting of Road Accident in Kerala: A Case Study, International Conference on Data Science and Engineering (ICDSE) IEEE; 1-5; 2018
  • ARUN (PS), MANOJKUMAR (TK), NAIR (RB), ARCHANA (SR), SHIBLI (SM), An ONIOM Study of Catalytically Active Brønsted Acid Sites of ZSM-5, Asian Journal of Chemistry, 30(4):933; 2018
  • RAGHI (KR), SHERIN (DR), SAUMYA MJ, ARUN (PS), SOBHA (VN), MANOJKUMAR (TK), Computational study of molecular electrostatic potential, docking and dynamics simulations of gallic acid derivatives as ABL inhibitors, Computational biology and chemistry, 74:239-46; 2018
  • SASIKUMAR (P), SHARATHNA (P), PRABHA (B), VARUGHESE (S), KUMAR (A), SIVAN (VV), SHERIN (DR), SURESH (E), MANOJKUMAR (TK), RADHAKRISHNAN (KV), Dihydro-β-​ agarofuran sesquiterpenoids from the seeds of Celastrus paniculatus Willd. and their α-glucosidase inhibitory activity, Phytochemistry letters, 26:1-8; 2018
  • KUMAR (M), ATHULYA (S), MINU (MM), VINODINI (MV), LAKSHMI (KA), ANJANA (S), MANOJKUMAR (TK), Forecasting of Annual Crime Rate in India: A case Study, International Conference on Advances in Computing, Communications and Informatics (ICACCI) IEEE; 2087-2092;2018
  • JAMES (AR), UNNIKRISHNAN (BS), PRIYA (R), JOSEPH (MM), MANOJKUMAR (TK), RAVEENDRAN PILLAI (K), SHIJI (R), PREETHI (GU), KUSUMAKUMARY (P), SREELEKHA (TT), Computational and mechanistic studies on the effect of galactoxyloglucan: Imatinib nanoconjugate in imatinib resistant K562 cells, Tumor Biology, 39(3); 2017
  • JOSEPH (MM), ASWATHY (G), MANOJKUMAR (TK), SREELEKHA (TT), Galactoxyloglucan-doxorubicin nanoparticles exerts superior cytotoxic effects on cancer cells A mechanistic and in silico approach, International journal of biological macromolecules, 92:20-9; 2016
  • MOHAN (MG), RAVEENDRAN (T), MANOJKUMAR (TK), RAJAGOPAL (P), MANOJ (P), Theoretical study of pyrene based oligomers for organic solar cells, International Conference on Electrical, Electronics, and Optimization Techniques, (ICEEOT) 4639-4641; 2016
  • KUMAR (RA), ASLAM (MM), RAJ (VJ), RADHAKRISHNAN (T), KUMAR (KS), MANOJKUMAR (TK), A statistical analysis of soil fertility of Thrissur district, Kerala, International Conference on Data Science and Engineering (ICDSE) IEEE; 1-5; 2016
  • MOHAMED (AV), KHADER (AMA), ARUN (PS), PANICKER (Y), MANOJKUMAR (TK), Computational and Experimental Studies of Ni(II) and Co(II) Complexes of 1,3,4 – Oxadiazole Derivatives, The Chemist, 88(2); 2016
  • SHERIN (DR), MANOJKUMAR (TK), RAJASEKHARAN (KN), CRANAD-1 as a cyanide sensor in aqueous media: a theoretical study, RSC Advances, 6;99385-99390; 2016
  • ULAHANNAN (RT), PANICKER (CY), VARGHESE (HT), MUSIOL (R), JAMPILEK (J), VAN ALSENOY (C), WAR (JA), MANOJKUMAR (TK), Vibrational spectroscopic studies and molecular docking study of 2-[(E)-2-phenylethenyl] quinoline-5-carboxylic acid, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 150:190-9; Nov 2015
  • ARUN (PS), NAIR (LS), MANOGARAN (K), VINODINI (V), MANOJKUMAR (TK), Exploration of carboxyl functionalized eugenol for preventing metastasis of pancreatic cancer, International Conference on Advances in Computing, Communications and Informatics (ICACCI) ,339-342; 2015
  • NAIR (BP), MANOJKUMAR (TK), SREEDHAR (KM), MOHAMED (AV), HUKUMAN (Z), Pyranone Benzene complexes as potential nano-flippers: A DFT study, International Conference on Advances in Computing, Communications and Informatics (ICACCI) 335-338; 2015
  • PRASANTH (S), VARUGHESE (M), JOSEPH (N), MATHEW (P), MANOJKUMAR (TK), SUDARSANAKUMAR (C), Crystal structure, FT-IR, FT-Raman, 1H NMR and computational study of ethyl 2-{[(Z) 3-(4-chlorophenyl)-3-hydroxy-2-propene-1-thione] amino} acetate, Journal of Molecular Structure Elsevier 1081; 366-374; 2015

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