Nakul Chandra Maiti , Ph.D.

Senior Scientist
Structural Biology & Bioinformatics

Research Focus

Structural and biochemical aspects of Intrinsically disordered proteins, Alzheimer’s , Parkinsons diseases, Biological Raman spectroscopy, Nanomaterials and its use in medicine

Research Interest

Our research focuses on two broad areas: (i) Intrinsically disordered protein, their link to different cellular activity and formation human diseases and  (II) to develope  porphyrin based nano-bio-composite for cancer therapy. Major methodologies that we employ in these invstigations include Raman/FTIR, NMR and Fluorescence and computational approaches. Many proteins or segments of it are intrinsically disordered (ID). It is estimated that about 50% of human proteins contain at least one long (> 30 residues) ID regions (IDR) and the number of IDR containing proteins is more in higher eukaryotes. Thus, it may have evolutionary importance. The lack of a rigid and folded stable structure in IDPs (intrinsically disorder proteins) may provide large plasticity to interact them efficiently with different targets, and thus conformational flexibility aids good efficacy in cell cycle regulation, membrane transport and different molecular recognition processes. In addition the inherited structural disorder  and the hydrophobic patches in it play an important role in the formation of protein assembly structure and the production of amyloid like aggregates that is implicated in several human neurological disorders. In our laboratory we attempt to define the role of this class of proteins in cell signalling and their implication in Alzheimer’s (AD) and Parkinson disease (PD). To address the role of protein oligomes  in AD and PD we are now studding different type of protein oligomers and membranes under Raman microscope. In addition, we are involved deeply in developing method that could aid in the early detection of AD and PD based on Raman signature. We are also studding the formation and possible structure of membrane less organelles which are unique as cellular storage for hormones and neurotransmitters. In addition Raman  spectroscopy  allow us to obtain the Raman spectrum  of very high quality of protein crystals.  We plan to probe the hydration and dynamics of the disordered region and side chain residues in some of the globular proteins in their crystalline form.  Further we will  define small molecule interaction, stability and structural evolution in the drug/protein complex formation inside single protein crystal. Our laboratory also investigate the interaction pattern of IDPs and structured proteins with metal nanoparticles.  Our results established that porphrin based nano-composite can significantly reduce the dose of doxorubicin and thereby showed improved efficacy towards killing of brain cancer cells.


Academic Profile

  • Ph.D. Chemistry, TIFR, Mumbai 
  • M. Sc. Chemistry, University of Calcutta, Calcutta, India
  • B. Sc. Chemistry (honors), Presidency  College, University of Calcutta


Employment Details      

Grade/ Post

Estt./ Lab/ Instt.



Principal  Scientist

Indian Institute of Chemical Biology, Kolkata

May 2015


Senior  Scientist

Indian Institute of Chemical Biology, Kolkata

May 2010

May 2015

Research Specialist

LSU-Agcenter, Baton Rouge, USA

Sept/ 2008

May/ 2010

Research Associate

California State University Los Angeles

June /2006


Senior Research Associate

Case W. R. University, Cleveland, USA


June/ 2006

Research associate

UMKC,  Kansas City, USA

June/ 2000


JSPS visiting scientist (postdoctoral)

Inst. for Mole. Sci Japan



Honours & Awards

  • Raman Fellowship Award, 2012, CSIR, New Delhi, June 2012-Sept 2012
  • International JSPS fellowship award, Japan  Society for the  Promotion of Science, Japan, 1998-2000


Patents & Publications


  1. Khanppnavar, B; Roy,A.;  Chandra, K.; Uversky, V. N.; Maiti, N.C; Datta,  S.,  Deciphering the structural intricacy in virulence effectors for proton-motive force mediated unfolding in type-III protein secretion, International Journal of Biological Macromolecules, 159, 2020, 18–33
  2. Bera, K, Mondal, A., Pal, U., and Maiti, N.C., Porphyrin-Armored Gold Nanospheres Modulate the Secondary Structure of α-Synuclein and Arrest Its Fibrillation,  J. Phys. Chem. C 2020, 124, 11, 6418-6434
  3. Dolui, S., Mondal, A.  Roy, A., Pal, U. Das, S., Saha, A. and Maiti, N.C., Order, Disorder, and Reorder State of Lysozyme: Aggregation Mechanism by Raman Spectroscopy,  J. Phys. Chem. B, 2020, 124, 50-60
  4. Ratha, B. N.; Kar, R.K.;  Bednarikova, Z.; Gazova, Z.;   Kotler,S.A.;  Raha, S.;  De, S.; Maiti, N. C and Bhunia, A., Molecular Details of a Salt Bridge and Its Role in Insulin Fibrillationby NMR and Raman Spectroscopic Analysis, J. Phys. Chem. B, 2020, 124, 1125−1136.
  5. Chowdhury, T.; Bera, K.; Samanta, D.; Dolui, S.;  Maity, S.; Maiti, N. C.; Ghosh, P. K.; and  Das, D., Unveiling the binding interaction of zinc (II) complexes of homologous Schiff-base ligands on the surface of BSA protein: A combined experimental and theoretical approach, Appl. Organometal Chem., 2020,34, e5556
  6. Majumder, L.; Chatterjee, M.; Bera, K.; Maiti, N. C.; Banerji, B., Solvent-Assisted Tyrosine-Based Dipeptide Forms Low-Molecular Weight Gel: Preparation and Its Potential Use in Dye Removal and Oil Spillage Separation from Water, Acs Omega, 2019, 4, 14411−14419
  7. Mondal, A. and  Maiti, N. C.  Divulging Characteristic Features of the Novel A-Synuclein Oligomers Augmenting Parkinson’s Disease, Biophysical Journal,  2019, 16, 185a
  8. Maity, M.; Bera, K.; Pal, U.; Khamaru, K. and Maiti N. C., Sensing of Fe(III) Ion via Modulation of Redox Potential on Biliverdin Protected Silver Nanosurface, ACS Appl. Nano Mater, 2018, 1, 6099–6111
  9. Mondal A.;  Pal U., Roy A. and Maiti, N. C., Structural Intricacy of Disordered Regions in Transcription Factors Imparting Colon Cancer, J. Proteins  Proteomics, 2018, 9, 169-184.
  10. Bera K.; Maiti, S. Maity,; M. Mandal C. and  Maiti N. C., Porphyrin−Gold Nanomaterial for Efficient Drug Delivery to Cancerous Cells,  ACS Omega 2018, 3, 4602−4619.
  11. Dolui S.; Roy A.; Pal U.; Saha A. and Maiti N. C., Structural Insight of Amyloidogenic Intermediates of Human Insulin, ACS Omega 2018, 3, 2452−2462.
  12. Ghosh S.; Mallick S.; Das U.; Verma A.; Pal U.; Chatterjee S.; Nandy A.; Saha K.D.; Maiti, N. C.; Baishya B.;  Kuma G. S. and  Gmeiner, Curcumin Stably Interacts with DNA Hairpin Through Minor Groove Binding and Demonstrates Enhanced Cytotoxicity in Combination with FdU Nucleotides, BBA - General Subjects 2018, 1862, 485–494
  13. Pal U. and Maiti N. C., Pattern Based Detection of Potentially Druggable Binding Sites by Ligand Screening, J.  Proteins Proteomics, 2018, 9, 1-9 
  14. Roy A.; Chandra K.; Dolui S. and Maiti N. C., Envisaging the Structural Elevation in the Early Event of Oligomerization of Disordered Amyloid β Peptide, ACS Omega, 2017, 2, 4316−4327.
  15. Yadav D.K.; Bharitkar Y.P.; Hazra A.; Pal U.; Verma S., Jana S.; Singh U.P.;  Maiti N.C.; Mondal N.B. and Swarnakar S., Tamarixetin 3-O-β-d-Glucopyranoside from Azadirachta indica Leaves: Gastroprotective Role through Inhibition of Matrix Metalloproteinase-9 Activity in Mice,  J. Nat. Prod., 2017, 80, 1347−1353.
  16. Banerji B., Chatterjee M.;  Pal U. and Maiti N.C., Formation of Annular Protofibrillar Assembly by Cysteine Tripeptide: Unraveling the interactionswith NMR, FTIR and Molecular Dynamics, J. Phys. Chem. B, 2017, 121, 6367–6379.
  17. Pal, U., Roy A.; Das S.; Das S.; Kundu M.; Bagga K.; Maiti N. C., Origin of Protein Aggregation: Identification of Some Characteristic Traits in Structured and Intrinsically Disordered Proteins,  J. Proteins and Proteomics, 2016, 7,  259-268
  18. Das S.; Pa, U.; Chatterjee M.; Pramanik S. K.; Banerji B.; Maiti N. C., Envisaging Structural Insight of a Terminally Protected Proline Dipeptide by Raman Spectroscopy and DFT Analyses,  J. Phys. Chem. A, 2016, 120, 9829-9840
  19. Das S.; Pal U.; and Maiti N. C., Metal ions provide structural stability and compactness to tetrameric purothionin, RSC Advances, 2016, 6, 90690-90700
  20. Das S.; Das S.; Roy A.; Pal U. and Maiti N. C., Orientation of tyrosine side chain in neurotoxic Aβ differs in two different secondary structures of the peptide,2016, R. Soc. Open Sci. 2016,  3, 160112 
  21. Saha S.; Acharya C.; Pal U.; Roy Chowdhury S.; Sarkar K.; Maiti N.C.; Jaisankar P. and Majumder H.K., A novel spirooxindole derivative inhibits the growth of Leishmania donovani parasite both in vitro and in vivoby targeting type IB topoisomerase, Antimicrob Agents Chemother, 2016, 60, 6281-93.
  22. Talapatra S.; Talukder P.; Pal U.; Maiti N.C. and Swarnakar S., Interaction of T-state haemoglobin and phytochemicals of Hygrophila spinosa T. Anders: an approach by molecular docking, World Journal of Pharmaceutical Research, 2016, 5, 1354-1369 
  23. Pal U.; Pramanik S; Bhattacharya B.; Banerji B and Maiti N. C., Binding interaction of a gamma-aminobutyric acid derivative with serum albumin: An insight by fluorescence and molecular modeling analysis, Springerplus, 2016, 5, 1121. 
  24. Naiya G.; Raha P.; Mondal M. K.; Pal U.; Saha R.; Choudhury S.; Batabyal S.; Pal S. K.; Bhattacharyya D.; Maiti N. C. and Roy S., Conformational Selection Underpins Recognition of Multiple DNA Sequences by Proteins and Consequent Functional Actions, Phys.Chem.Chem.Phys, 2016, 18, 21618-21628 
  25. Banerji B.; Chandrasekhar K.; KilliS. K.; Pramanik S.; Pal U.; Sen S.; Maiti N. C., Silver-Catalyzed Azide–Alkyne Cycloaddition (AgAAC): Assessing the Mechanism by DFT, R. Soc. open sci., 2016
  26. Mitra P.; Pal U.; Maiti N. C.; Ghosh A.; Bhunia A.; and Basu S. Identification of Modes of Interactions Between 9-Aminoacridine Hydrochloride Hydrate and Serum Proteins by Low and High Resolution Spectroscopy and Molecular Modeling,  RSC Adv., 2016, 6, 53454
  27. Banerji B.; Chatterjee M. Paul U. and Maiti N. C., Molecular Details of Acetate Binding to a New Diamine Receptor by NMR and FT-IR Analyses, J. Phy. Chem. A. 2016, 120, 2330-2341
  28. Pal U,; Maity M.; Khot N.; Das S.; Das S.; Dolui S. and Maiti N. C., Statistical insight of binding regions in disordered human proteome, J. Proteins and Proteomics  2016, 7,  47-60
  29. Maity M.;  Dolui S.  and Maiti N. C., Hydrogen bonding plays a significant role in the binding of coomassie brilliant blue-R to hemoglobin: FT-IR, fluorescence and molecular dynamics studies, Phys.Chem.Chem.Phys., 2015, 17, 31216
  30. Pal U.; Pramanik. S.; Bhattacharya B.; Banerji B and Maiti N. C., Binding interaction of a novel fluorophore with serum albumins: steady state fluorescence perturbation and molecular modeling analysis, Springer Plus, 2015, 4, 548 
  31. Chakraborty B.;  Dutta D.; Mukherjee S.; Das S.; Maiti N.C.; Das P. and  Chowdhury, C., Synthesis and biological evaluation of a novel betulinic acid derivative as an inducer of apoptosis in human colon carcinoma cells (HT-29), . Eur. J. Med. Chem. 2015, 102,  93–105.
  32. Maiti N. C.; Mondal P. and Das S., Role of Cyclophilin on Amyloid Formation and Protein Disaggregation, The FASEB Journal, 2015, Supplement 881.7
  33. Mal K.; Das S.; Maiti N. C.; Natarajan R.; and Das I., ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins, J. Org. Chem., 2015, 80, 2972−2988
  34. Maity M.; Das S. and Maiti N. C., Stability and Binding Interaction of Bilirubin on Gold Nano-surface: Steady State Fluorescence and FT-IR Investigation. Phys. Chem. Chem. Phys. 2014, 16, 20013-22 
  35. Preet R.;  Chakraborty B.; Siddharth S.;  Mohapatra P.; Das D.; Satapathy S. R.;  Das S.;  Maiti  N. C.; Maulik  P. R.;  Kundu C. N. and Chowdhury,  C. Synthesis and biological evaluations of andrographolide analogues as anti-cancer agents. Eur. J. Med. Chem. 2014, 85, 95-106 
  36. Banerji B,; Pramanik S. K,; Pal U.;  Maiti N. C., Binding of haemoglobin to ultrafine carbon nanoparticles: a spectroscopic insight into a major health hazard. RSC Adv. 2014, 4, 22536-22541
  37. Pal U.; Sen S. and Maiti N. C., Cα-H Carries Information of Hydrogen Bond Involving Geminal Hydroxyl Group: A Case Study With Hydrogen Bonded Complex of HFIP and Tertiary Amines,  J. Phy. Chem. A. 2014, 118, 1024-1030 
  38. Das S.; Pal U.; Das S.; Bagga K.; Roy A.; Mrigwani A.; Maiti N. C. Sequence Complexity of Amyloidogenic Regions in Intrinsically Disordered Human Proteins. PLOS ONE, 2014, 9, e 89781
  39. Sen S.; Pal U.; Maiti N. C., pKa Determination of D-Ribose by Raman Spectroscopy, J. Phys. Chem.  B.  2014, 118, 909-914
  40. Das S.; Pal U.; Das S.; Maiti N. C., Chaperone action of cyclophilin on lysozyme and its aggregate, Journal of Proteins and Proteomics, 2013, 4, 129.
  41. Maity M; Pramanik SK.; Pal U; Banerji B and Maiti N. C., Copper (I) oxide nanoparticle and tryptophan as its biological conjugate: a modulation of cytotoxic effects, Journal of Nanoparticle Research, 2013, 16, 2179
  42. Chattopadhyay P.; Bhattacherjee D; Ghorai A.; Pal U.; Maiti N. C.,  Stereoselective Domino Azidation and (3+2) Cycloaddition: A Facile Route To Chiral Heterocyclic Scaffolds From Carbohydrate Derived Synthons; RSC Advances, 2013 (accepted) , 4, 4155-4162
  43. Mukherjee D.; Patra H.; Laskar A.; Dasgupta A.; Maiti N. C. and Datta A.K.  Cyclophilin-mediated reactivation pathway of inactive adenosine kinase aggregates, Archives of Biochemistry and Biophysics, 2013, 537, 82-90
  44. Bhowmik A.; Das N.; Pal U.; Mandal M.; Bhattacharya S.; Sarkar M.; Jaisankar P.; Maiti N. C. and Ghosh M. K., 7. 2,29-Diphenyl-3,39-Diindolylmethane: A Potent Compound Induces Apoptosis in Breast Cancer Cells by Inhibiting EGFR Pathway, PLOS ONE,  2013, 8,  59798
  45. Banerji B,; Pramanik S. K,; Pal U.;  Maiti N. C., Potent Anticancer Activity of  Cystinebased Dipeptides and Their Interaction with Serum Albumins, Chemistry Central Journal, 2013, 7, 91
  46. Rudra D. S.; Pal U.; Maiti N. C.; Jeiter, R. J.; Swarnakar, S., Melatonin inhibits matrix  metalloproteinase-9 activity by binding to its active site J. Pineal Res.; 2013  54; 398–405
  47. Banerji B.; Pramanik S. K.; Pal U.;  Maiti N. C. and Chaudhuri K., Dipeptide derived from benzylcystine forms unbranched nanotubes in aqueous solution Journal Of Nanostructure in Chemistry, 2013  3:12.
  48. Maity M.; Maiti N. C., Sequence composition of binding sites in natively unfolded human proteins, J. Proteins and Proteomics, 2012, 3, 117-125
  49. Banerji B.; Pramanik S. K.; Pal U.; Maiti N. C., Conformation and cytotoxicity of a tetrapeptide constellated with alternative D- and L-proline  RSC Advances, 2012,  2, 6744-6747 
  50. Alam A.; Halder S.; Thulasiram H. V.; Kumar R.; Goyal M.; Iqbal M. S.; Pal C.; Dey S.; Bindu S.; Sarkar S.; Pal U.; Maiti N. C.; Bandyopadhyay U., Novel Anti-inflammatory Activity of Epoxyazadiradione against Macrophage Migration Inhibitory Factor J. Biol. Chem., 2012, 287, 24844-24861
  51. Banerji B,; Pramanik S. K,; Mandal S.;  Maiti N. C. and Chaudhuri K., Synthesis, characterization and cytotoxicity study of magnetic (Fe3O4) nanoparticles and their drug conjugate RSC Adv., 2012, 2, 2493-2497.
  52. Alam A.; Pal C.; Goyal M.; Kundu M.K.; Kumar R.; Iqbal M.S.; Dey S.; Bindu S.; Sarkar S.; Pal U. Maiti N.C.; Adhikari S.; and Bandyopadhyay U.,  Synthesis and bio-evaluation of human macrophage migration inhibitory factor inhibitor to develop anti-inflammatory agent, Bioorganic & Medicinal Chemistry , 2011, 19, 7365-7373
  53. Maiti N. C.;  Jiang D.;  Wain A.J.,  Dinh KL.;  Patel S.; Zhou F., (2008) Mechanistic Studies of Cu(II) Binding to Amyloid- Peptides and the Fluorescence and Redox Behaviors of the Resulting Complexes, J. Phys. Chem.  B, 2008, 112, 8406–8411.
  54. Maiti  N. C.; Zhu Y.; Carmichael I.; Serianni AS.; Anderson Vernon E.,  (2006) ,CH Correlates with Alcohol H-bond Strength, J.  Org. Chem. 71, 2878-2880.
  55. Kun  H.;  Maiti  N. C.;  Phillips N. B.; Carey P. R.; Weiss M. A., (2006) Structure Specific Effects of Protein Topology on Cross-β Assembly: Studies of Insulin Fibrillation,  Biochemistry  45,  10278-10293.
  56. Apetri  M. M.; Maiti N. C.;  Zagorski M.G.; Carey P.R.; Anderson V.E. (2006) Secondary Structure of α-Synuclein Oligomers: Characterization by Raman and Atomic Force Microscopy, J.  Mol.  Biol. 355, 63-71.
  57. Jarmelo S.; Maiti N. C; Anderson V.E.; Carey P. R.; Fausto R. (2005)  Cα-H Bond-Stretching Frequency in Alcohols as a  Probe of Hydrogen-Bonding Strength: A Combined Vibrational Spectroscopic and Theoretical Study of -[1-D] Propanol,  J. Phys. Chem. A 109, 2069-2077. 
  58. Overman S. A.; Bondre P.; Maiti N. C.; Thomas G. J. Jr.,  (2005) Structural Characterization of the Filamentous Bacteriophage PH75 from Thermus thermophilus by Raman and UV-Resonance Raman Spectroscopy, Biochemistry, 44, 3091-3100.
  59. Maiti N.C.; Apetri M.M.; Zagorski M.G.; Carey P.R.; Anderson V.E.  (2004) Raman  Spectroscopic Characterization of Secondary Structure in Natively Unfolded Proteins: α-Synuclein,   J. Am. Chem. Soci.126, 2399-2408.
  60. Minkler P.E.; Anderson V.E.; Maiti N. C.; Kerner J.; Hoppel C.L. (2004) Isolation and Identification of Two Isomeric Forms of Malonyl-coenzyme A in commercial malonyl-coenzyme-A, Anal. Biochem. 328, 203-209.
  61. Maiti N. C.; Carey P.R.; Anderson V.E., (2003) Correlation of an Alcohol's αC-D Stretch with Hydrogen Bond Strength in Complexes with Amines, J.  Phys.  Chem. A   107, 9910-9917. 
  62. Maiti N. C.; Tomita T.; Kitagawa T.; Okamoto K.; Nishino T., (2003) Resonance Raman studies on xanthine oxidase: observation of Mo (VI)-ligand vibrations, J. Biol.Inor. Chem.  8, 327-333. 
  63. Maity H.; Maiti N. C.; Jarori G.K., (2000) Time-resolved fluorescence of tryptophans in yeast hexokinase-PI: effect of subunit dimerization and ligand binding, J. Photochem. Photobio. B: Biology. 55, 20-26. 
  64. Prasad S.; Maiti N. C.; Mazumdar S.; Mitra S., (2002)  Reaction of hydrogen peroxide and peroxidase activity in carboxymethylated cytochrome c: spectroscopic and kinetic studies, Biochimica et Biophysica Acta  (2002), 1596, 63-75. 
  65. Aziz A.; Narasimhan K. L.; Periasamy N.; Maiti N. C., (1999)  Electrical and optical properties of porphyrin monomer and its J-aggregate.    Philosophical Magazine B: Physics of Condensed Matter: Statistical Mechanics, Electronic, Optical and Magnetic Properties 79, 993-1004.
  66. Maiti N. C.; Mazumdar S.;  Periasamy N., (1998) J- and H-aggregates of porphyrins with surfactants: fluorescence, stopped flow and electron microscopy studies, Journal of Porphyrins and Phthalocyanines  2, 369-376. 
  67. Maiti N. C.; Mazumdar S.;  Periasamy N., (1998)  J- and H-Aggregates of Porphyrin-Surfactant Complexes: Time-Resolved Fluorescence and Other Spectroscopic Studies, Journal of Physical Chemistry B  102, 1528-1538. 
  68. Maiti N. C.; Krishna M. M. G.; Britto P. J.; Periasamy N., (1997),  Fluorescence Dynamics of Dye Probes in Micelles, Journal of Physical Chemistry B  101, 11051-11060. 
  69. Maiti N. C.; Ravikanth M., (1996), Fluorescence study of some deformed zinc (II) porphyrins, Journal of Photochemistry and Photobiology, A: Chemistry 101, 7-10.
  70. Maiti N. C.; Mazumdar S.;  Periasamy N.,  (1996), Controlled J-aggregation of porphyrins by cationic surfactants.    Current Science 70, 997-999. 
  71. Maiti N. C.; Ravikanth M., (1996), Effects of non-planarity and β-substitution on the singlet-excited-state properties of basket-handle porphyrins, Journal of the Chemical Society, Faraday Transactions 92, 1095-100. 
  72. Maiti N. C.; Ravikanth M., (1995),  Photophysical properties of structurally deformed basket-handle porphyrins, Journal of the Chemical Society, Faraday Transactions 91, 4369-73. 
  73. Maiti N. C.; Ravikanth M.; Mazumdar S.; Periasamy N., (1995), Fluorescence Dynamics of Noncovalently Linked Porphyrin Dimers, and Aggregates, Journal of Physical Chemistry 99, 17192-97.
  74. Maiti Nakul C.; Mazumdar S.; Periasamy N.,  Dynamics of Porphyrin Molecules in Micelles. Picosecond Time-Resolved Fluorescence Anisotropy Studies, Journal of Physical Chemistry (1995),  99,  10708-15