MSc (NEHU) PhD (IACS) Commonwealth Fellow (UCL)
Quantum Chemistry, Anti Cancer Ruthenium Complexes, Molecular Modelling and Anti Cancer Drug Design
Department of Chemistry
Gauhati University, Guwahati, 781014
1. B.Sc. (Manipur University, First Class 2nd Position).
2. M.Sc. (NEHU, Shillong).
3. Ph.D. (IACS, Kolkata).
4. Post Doc: University College London, Common wealth Fellowship in the year 1998-1999,
5. Awarded Silver Medal for Best Paper in International conference, 1988.
6. UGC Research Award 2002.
7. INSA visiting Fellowship 1997.
8. Best Women chemistry teacher Award, 2016, ACT, Homi Bhaba center for science education .
1. Physical Chemistry
2. Quantum Chemistry
1. Quantum Chemistry
2. Synthesis and Biological studies of potential anti cancer Ruthenium complexes.
3. Modelling of protein and DNA binding anticancer complexes.
Present Ph.D. Students:
1. Jitendra Deka
2.Tapash K Barman
3. Rinki Moni Kalita.
4.Rahul Kumar Sarma Baruah
Former Ph.D. Students:
1. Tapan Thakuria
2. P.K. Bhattacharyya
3. Manash Lochan Das
4. Rajib L Sarma.
5. Rituraj Kalita
6. Murshida Karim
8. Dhiraj Talukdar
9. Pankaj Hazarika
10. Rinu P. Deka.
1. Dual substituent parameters treatments of C –substituents chemical shifts in 5-substituted 2-thenyllidene malononitriles and MO theoretical analysis at CNDO/2 level.
S.Datta, ADey, C Medhi, S.P.Bhattacharyya, A Chakrabarty, Heterocycles 24, 2827(1986).
2.Quantum mechanical notion of valence and bond order: A case study on some molecules in electronically excited molecules at the MCSCF level, C Medhi, K K Das S.P Bhattacharyya, Proc international symposium on frontier areas in chemical and engineering sciences 1986, Awarded silver medal for being adjudged the best paper in the session.
3. Further application of dual substituents parameters and dual non-linear resonance methods in modeling BC substituents chemical shifts in substituted styrenes. C Medhi, S.P.Bhattacharyya, A Dey, S.Datta, J.A Brunskill, S.Faloujou, J Chemical Society, Perkin Trans II(1988) 1599.
4. Macroscopic solvation of molecules in excited electronic states: An MCSCF study including solvent polarization I, B Bhattacharyya, C Medhi, B.R.De, S.P.Bhattacharyya, Proc Ind Acad of Sciences(Chemical Sciences) 1989, 101, 235.
5. Handling of intrinsic divergence in the orthogonal gradient method of orbital optimization in an MCSCF framework I
C Medhi, K.K.Das and S.P Bhattacharyya, Pramana, J of Physics, 40(1993)65.
6. Topological features and energies of diacetylene hydrogen fluoride complexes.
C Medhi, D.Mazumder, S.P.Bhattacharyya, J of Mol Struct(Theochem) 280(1993) 191.
7. Basicity of few carbonyl molecules in different electronic states: Further application of orthogonal gradient method of optimization in an INDO-MCSCF framework , C Medhi and S.P.Bhattacharyya, Proc Ind Acad of Sciences(Chemical Sciences) 105(1993) 193
8.Transcription of the results of quantum chemical calculation in terms of the classical notion of molecular structure . The cases of some carbonyls in the ground and excited states, Proc Ind Acad Sciences(Chemical Sciences) 1997(103)1,61.
9. Macroscopic solvent polarization induced reorganization of electron density in different excited states: A case study on formaldehyde molecules by a Multiconfiguration self consistent reaction field methodC Medhi and S.P.Bhattacharyya, Int J of Quantum Chem, 1998, 70(3) 415.
10. MCSCF calculation on metal ion (Li+,Na+, Be+2) affinities in the ground and 1.3nπ * states of few carbonyl molecules. Ind J of Chem, 39A,2000,792.
11.Proton affinities of Acetaldehyde and Acetone at the ground and excited states. 1995 ,34 A, 765 ,Ind J. Chem Sec A
C.Medhi. et al
12. The electrostatic factor in anticancer drug intercalation. 1999,52,84,Biopolymers Nucleic Acid research
C.Medhi et al
13. The model of proton assisted and the unassisted formation of CGC base triplets. 2002,42 , 3,598 J.Chem . information and computer sciences
14. Proton induced structural reorganization of few carbonyl molecules in the ground and excited states.1999, 39,267. Int J.Information and computer sciences, C.Medhi et al
15.A molecular orbital calculation of metal ion affinities and proton affinities of nitrogen mustards: An analysis of ionic effect in the alkylation reaction. P.K.Bhattacharyya and C Medhi,Ind J of Chemistry sec A, 2007, 46A,1257-1262.
C.Medhi et al,
16. Theoretical study on the mechanism of alkylation by few Nitrogen Mustards at
N7 of guanine. Ind.J.of Chem Section B,2005,44B,1319-1323.
C.Medhi et al,
17. Ab initio calculations on the effect of substituents in the alkylation mechanism of nitrogen mustards at N-7 of guanine. Indian Journal of Chemistry Sec A ,43A,2043,2004 C.Medhi et al
18. Are there variation in Hydrogen bonding abilities of Watson Crick region and other donor-acceptor sites of bases? An ab-initio method of studying proton and metal ion affinities of bases. 2004, In J of Chemistry sec A C.Medhi et al
19.Theoretical studies on the initiation of alkylation pathway by aziridine ring of mitomycin C at guanine nucleobase of DNA, Murshida Karim, Rajib L. Sarma & Chitrani Medhi*, Indian Journal of Chemistry, Section B, 47B, June (2008), pp.892-902.
20. Basicities of some 9 substituted acridine 4 carboxamide : A density functional theory(DFT) calculation. R.Parajuli and C Medhi, Proc Ind Acad of Science(Chemical Sciences) 2004,116,4,235.
21. Is DFT method useful for analysis of sequence specificity of bases in nucleic acid?
R Kalita, R Parajuli and C Medhi, Ind J of Chem sec B, 45B,3,2006,782.
22. Are there variation in hydrogen bonding abilities of Watson Crick region and other donor sites of nucleobases: An ab initio method of studying proton and metal ion affinities of nucleobases.
R.Parajuli,D Talukdar, C Medhi, Ind J of Chemistry sec A, 2006, 45A, 1804-1812.
23. Monitoring the sequence specific intercalation of 9 substituted acridine 4 carboxamide, R Parajuli and C Medhi, Ind J of Chemistry sec A(invited article in special issue of chemoinformatics), 45A, 2006, 146-158.
24. Structures and stabilities of sugar radicals of nucleotides J of Molecular Structure(Theochem) 2006(103) 783, 51-57.
R.L.Sarma and C Medhi
25. Ab initio and DFT studies on nucleobase radicals of nucleosides.
R.L.Sarma, M.Karim and C Medhi, J of Mol Struct(Theochem) 805(1-3)2007,17-25.
26. Theoretical studies on the initiation of alkylation pathway by aziridine ring of mitomycin C at guanine nucleobase of DNA, M Karim, R.L Sarma and C Medhi.
Ind J of Chemistry Sec B, 2008, 47B, 892-902.
27. Which base triplet stabilizes triple helix? ab initioSCF and density functional
methods of calculations on some base triplets. R.Parajuli and C Medhi
J.Mol Struct (Theochem), 717,2005,59-66.
28. Regio- and π facial selective lewis acid interceded Diel-Alder reactions of α-dienyl β-Lactams :an indepth analysis, G.Bhargava, A Anand, M.P.Mahajan, T Saito,Ken Sakai and C Medhi, Tetrahedron, 2008,64,6801. 29.Interaction of small aromatic molecules: An ab initio studies on benzene and pyridine molecules” Bipul Bezbaruahh, P. Hazarika, A. Gogoi and O.K. Medhi, C. Medhi, Journal of Biophysical Chemistry, 2(1), 2011, 32-36.
30.A model study on the stacking interaction of phenanthrolin ligand with nuclic acid-base pair: An abinitio, MP2 and DFT studies.” Bipul Bezbaruahh, P. Hazarika, A. Gogoi and O.K. Medhi, C. Medhi, Journal of Biophysical Chemistry, 2(2), 2011, 152-157.
31.Ab initio study on the nature of stacking between azaacridine-4-carboxamides with base pairs of DNA” Bipul Bezbaruahh, Manash L. Das, Rajib L. Sarma, Murshida Karim, C. Medhi, Journal of Molecular Structure: THEOCHEM , 947 (2010) 107–114.
32. The Stacking Ability of Daunomycin with Base Pairs of DNA: A Theoretical ab Initio (HF) and MP2 Studies” Bipul Bezbaruahh, Murshida Karim, Rajib L Sarma and Chitrani Medhi, International Journal of Drug Design and Discovery, Volume 1, Issue 1, January – March 2010. 33-40.
33.The compatibility of molecular structures of diphenyl diamines drugs with minor groove of DNA and the importance of cationic amidine group in DNA binding”, Bipul Bezbaruahh, Rituraj Kalita, Pankaj Hazarika and C Medhi*, Sciencia Acta Xeverianaa, Volume 1, No 1, 2009, 1-18.
34.The binding of acridine-4-carboxamides with DNA sequences: An ab-initio and force field study on the intercalation and side chain binding”, Bipul Bezbaruahh, P. Hazarika and C Medhi, International Journal of Drug Design and Discovery, Volume 1, Issue 3 July - September 2010, 228-238
35. Prediction of pKa from basic principles: Ab initio and DFT studies on some molecules”, Pankaj Hazarika, Bipul Bezbaruahh, Murshida Karim, Rajib L.Sharma and C Medhi, Indian journal of Chemistry, section A, 48A, April 2009, pp. 520-525.
36.The selectivity of nucleobases in DNA binding by Ru(phenanthroline)3 complex”, Pankaj Hazarika, Bipul Bezbaruah, Anshuman Gogoi, Pranjoli Das, O. K. Medhi and C Medhi, Indian journal of Chemistry, Section A 48A, September 2009, pp.1235-1241.
37.Ab initio molecular orbital and force field calculations on the interaction of daunomycin with GC base-pair and interaction within DNA”, Rajib L Sharma, Murshida Karim, Bipul Bezbaruah and C Medhi, Indian Journal of Chemistry, Section BB, 47B, October 2008, pp.11605-1610.
38.The Intercalation of Various Forms of Daunomycin Within Sequences of DNA” Bipul Bezbaruahh, Murshida Karim, P Hazarika, R Deka and C Medhi, International Journal of Drug Design and Discovery, 2012. 731-738.
39. Synthesis, characterization, X-ray single crystal structure,DNA binding and anticancer property of cis-chlorodimethylsulphoxide-S-bis(1,10-phenanthroline) ruthenium(II) chloride. Pankaj Hazarika, J. Deka, R. K. Bhola, C. Medhi and O. K. Medhi, Der Pharma Chemica, 2013, 5(2), 267-277.
40.The features of protein binding by ruthenium complexes; Docking, force field and QM/MM studies. Pankaj Hazarika, J. Deka, Bipul Bezbaruah, R. P. Deka, O. K. Medhi and C. Medhi, International Journal of Research and Reviews in Applied Chemistry 2013,14(1),64-74.
41.DNA binding properties and biological studies of cis-dichlorotetrakis (dimethylsulphoxide) ruthenium (II) complex. Pankaj Hazarika, J. Deka, S. Bhola, R. K. Bhola, C. Medhi and O. K. Medhi, International Journal of Drug Design and Discovery, 2012, 3, 907-913.
42. GREEN SYNTHESIS OF GOLD NANOPARTICLES USING CAMELLIA SINENSIS AND KINETICS OF THE REACTION, Sontara Konwar Boruah, Prabin Kumar Boruah, Pradyut Sarma, Chitrani Medhi and Okhil Kumar Medhi, Advance materials Letters, 2012,3,6,481-486.
43.Quantum mechanical studies of Structure and stability of few models of non-natural triplets, Dhiraj Talukdar, Pankaj Hazarika, R. P. Deka, M. Karim, J. Deka, C. Medhi, International Journal of Drug Formulation and Research, 2011, 2, 5.
44.Quantum mechanical study on the effect of ions on phosphate and sugar groups of DNA. Dhiraj Talukdar and C Medhi, Clarion(ISSN:2277-1697) 2012.
45.The DNA binding features of ruthenium complexes compared with cisplatin Docking, Force Field and QM/MM studies P. Hazarika, B. Bezbaruah, R. P. Deka, J. Deka, T. K. Barman, O.K. medhi, C. Medhi* (ISSN:2277-1697) 2012Clarion.
46.Ionic effects on some anticancer drugs from analysis of their metal ion and proton affinities” Pradip K. Bhattacharyya, Murshida Karim, Chitrani Medhi, Indian Journal of Chemistry, Section A, 46A, August (2007), 1257-1262. 47.Theoretical studies on the initiation of alkylation pathway by aziridine ring of mitomycin C at guanine nucleobase of DNA, Murshida Karim, Rajib L. Sarma & Chitrani Medhi, Indian Journal of Chemistry, Section B, 47B, June (2008), pp.892-902.
48.Density functional study on the proton assisted isomerization of 1H-imidazo(4,5,b)pyridine derivatives, Journal of Theoretical and Computational Chemistry,Vol 11, No. 3(2012), 111 R.P.Deka, C.Medhi.
49.Ab initio calculations on the effect of substituents in the alkylation mechanism of nitrogen mustards at N-7 of guanine. P.Bhattacharyya and C.Medhi Indian Journal of Chemistry Sec A ,43A,2043,2004.
50.Density functional study on the proton assisted isomerization of 1H-imidazo(4,5,b)pyridine derivatives, Journal of Theoretical and Computational Chemistry,Vol 11, No. 3(2012), 111 R.P.Deka, C.Medhi.
51.Bhupen Kumar Baruah, B. Das, C. Medhi and A.K. Misra. (2012). Fertility status of soil in the tea garden belts of Golaghat District of Assam, India. Journal of Chemistry, 2013: 1-6. DOI: 10.1155/2013/983297.
52.Bhupen Kumar Baruah, C. Medhi and A.K. Misra. (2011). Indigenous water filtration technique in rural areas of Assam: A study on iron removal by bamboo charcoals. Journal of Chemical Engineering, 3(2): 61-67).
53.Bhupen Kumar Baruah, B. Das, C. Medhi and A.K. Misra. (2011). Environmental awareness among tea labors towards local issues. Advances in Applied Science Research, 2(2): 190-196.
54.Bhupen Kumar Baruah, B. Das, A. Haque, K. Misra, C. Medhi and A.K. Misra. (2011). Fluoride ion in drinking water and prevalence of dental fluorosis among the population in some tea garden belt villages in Golaghat district of Assam, India. Archives of Applied Science Research, 3(1): 175-179.
55.Bhupen Kumar Baruah, B. Das, A. Haque, C. Medhi and A.K. Misra. (2011). Suitability evaluation of groundwater for irrigation purposes: A study on tea garden belts villages of Golaghat District, Assam, India. Der Chemica Sinica, 2(1): 142-148.
56.Bhupen Kumar Baruah, B. Das, A. Haque C. Medhi and A.K. Misra. (2011). Iron removal efficiency of different bamboo charcoals: a study on modified indigenous water filtration technique in rural areas of Assam. J. Chemical and Pharmaceutical Research, 3(2): 454-459.
57.Bhupen Kumar Baruah, B. Das, C. Medhi and A.K. Misra. (2011). Boron in Soil and Water Samples in Some Tea Garden Belt of Golaghat District, Assam. Advances in Applied Science Research, 2(4): 298-305.
58.Bhupen Kumar Baruah, B. Das, A. Haque, C. Medhi and A.K. Misra. (2011). Sequential extraction of common metals (Na, K, Ca and Mg) from surface soil. J. Chemical and Pharmaceutical Research, 3(5): 198-205.
59.Theoretical studies on the initiation of alkylation pathway by aziridine ring of mitomycin C at guanine nucleobase of DNA, Murshida Karim, Rajib L. Sarma & Chitrani Medhi, Indian Journal of Chemistry, Section B, 47B, June (2008), pp.892-902.
60. Green synthesis of gold nanaparticles using cameli sinensis and kinetics of reactions, Sontara Konwar Boruah, Prabin Kumar Boruah, Pradyut Sarma, Bipul Bezbaruah, Chitrani Medhi and Okhil Kumar Medhi.Advance material Lett.2012, 3(6) 481-486.
61. Theoretical studies on the tautomerization of guanine, Physical chemistry, An Indian Journal, 9(7)2014, 242-254.
62. The Feasibility Of Hydrogen Bonding In Guanine-Adenine (AG) On Subsequent Tautomerization Relevant To Available AG Mispairs: DFT And MP2 Level Of Studies.,
,J. Basumatary, R. Kalita, C. Medhi , International Journal of Innovative Research and Advanced Studies (IJIRAS) Volume 4,1, January 2017.
63. Quantum mechanical studies on the existence of AC mismatches through prototopic tautomerization pathway in adenine and cytosine recognition ,Junu Basumatary, Bipul Bezbaruah, Rinki Kalita, Tapash Kumar Barman and Chitrani Medhi , Journal of Theoretical and Computational Chemistry Vol. 16, No. 3 (2017) 1750027 (15 pages).
64.What Are the Differently Paired Forms of Adenine (A)-Thymine (T)?International journal of innovative research and Development, R. P. Deka,J. Basumatary,T. K. Barman,J. Deka,C. Medhi, 2016,5, 1,68-77.
65.Synthesis, characterization, DNA binding and anticancer property of mer trichlorodimethyl sulphoxide –s(1,10-phenanthroline) Ruthenium III, P.Hazarika, J Deka, O.K.Medhi, C Medhi. J of Applied Chemistry, 7,4,II,71-80.
66. Quantum Mechanical Study on the Proton Transfer Mechanism within Adenine-thymine and Guanine-cytosine Base Pairs of DNA Nucleobase Bipul Bezbaruah, Chitrani Medhi, Indian Journal of Advances in Chemical Science 4(3) (2016) 314-320.
67. IS TAUTOMERIZATION RELEVANT TO THE EXISTENCE OF MISPAIRED CYTOSINE-GUANINE (C-G)? International Journal of Current Research2016, Basumatary, J., Deka R. P., Barman, T. K., Deka, J. and Medhi C. Vol. 8, Issue, 03, pp.27445-27455, March
68. THE EFFECT OF COUNTERION ON THE DNA BINDING OF TRANS-[RU(DMSO)2CL4].(9-AMINOACRIDIDE), [RU(DMSO)3CL3].(N-ETHYLMORPHOLINE) AND [RU(DMSO)3CL3] , Jitendra Deka, Okhil Kumar Medhi and , Chitrani Medhi, Asian Journal of Science and Technology
Vol.07, Issue, 02, pp.2408-2415, 2016.
69. Design, Synthesis and Preliminary Pharmacological Screening (antimicrobial, analgesic and anti-inflammatory activity) of Some Novel Quinazoline Derivatives,
Biswajit Dash , Suvakanta Dash, Damiki Laloo, Chitrani Medhi, Journal of Applied Pharmaceutical Science Vol. 7 (06), pp. 083-096, June, 2017.
70. The Effect Of Proton And Water Molecule On Watson Crick Hydrogen Bonds And The Formation Of Cytosine(C)-Thymine(T) Base Pairs.
International Journal of Research in Engineering and Science (IJRES), T.K.Barman, J. Basumatary ,R.S.Baruah, R.Kalita and C Medhi Volume 6 Issue 4 , 2018 ,PP. 54-65 .
71. Structure and Selectivity of binding sites in HIV protein by 6-aminoquinolines. Molecules: Docking and Molecular Mechanics studies.Tapash Kumar Barman and Chitrani Medhi, Asian Journal of Science and Technology (IN PRESS).
72. Is Guanine(G) tautomer interaction responsible for the existence of GG mismatches? A quantum mechanical studies on G tautomer combination.(IN PRESS)
1. Bhupen Kumar Baruah, B. Das, C. Medhi and A.K. Misra. (2011). Prevalence of dental fluorosis among the populations: a study in a few tea garden belt villages in Golaghat district, Assam, India. In: Jain CK, Islam KMB and Sarma SK. (Eds.), Community Base Water Resources Management in North East India: Lessons from Global Context. Allied Publisher Pvt. Ltd., Guwahati. 266-272. (ISBN: 978-81-8424-696-4).
2. Bhupen Kumar Baruah, Ansarul Haque, Bhanita Das, Chitrani Medhi and Abani Kumar Misra. (2012). An estimation of fluoride in the drinking water and prevalence of dental fluorosis among children in few tea garden belt villages of Golaghat District, Assam. In: Das R, Sarmah KK, Deka H and Haque A. (Eds.), Agri-Biotech. Global Publishing Company Ltd., Hyderabad. (ISBN: ) .
3. Dhiraj Talukdar and CMedhi, QUANTUM MECHANICAL AND FORCE FIELD METHODS IN STUDYING THE INFLUENCE OF IONS AND WATER MOLECULES ON NUCLEIC ACIDS, AND COMPARISON OF NATURAL AND NON-NATURAL NUCLEOBASE TRIPLETS, Lambert Academic publishing.2012
4. Bipul Bezbaruah and C Medhi, DNA sequence specific binding of some anticancer drugs: A Force field study. Lambert Academic publishing,2012
5. Pankaj Hazarika and Chitrani Medhi, Lambert Academic publishing, 2014
1. Project Title: Theoretical study on the solvation of organic/biomolecules. period(1995-1998) Funding agency: CSIR.01(1336)/95/EMR II (1995-98) ~2 lakhs
2. Project Title: Study on catalysed reactions: A theoretical study. Funding agency: DAE . 37/25/95-G(1995-98) Rs 36,000/
3. Project Title: quantitative analysis on the properties of anticancer drugs.Funding agency, UGC.F 12-1/95(SR-I) (1995-97) ~2 lakhs
4. Project Title: Modelling of DNA/Anticancer drug complexes and evaluation of factors for designing more potent drugs. Funding agency: CSIR CSIR(01)1729/02/EMRII 2002-25. ~ 5 lakhs.
5. Project Title: Analysis of reactive intermediates generated during anticancer drug action and their consequent damages in DNA. Funding agency: DST SR/SI/PC-42/2005-2008. 8 lakhs
6.Project title: Intercalative binding of Anthracyclines, an Anticancer drug and Systematic Examination of Intermediates in the Redox Mechanism in drug action” Funding agency: CSIR, (2006-9 ) ~ 8 lakhs
7. Project title: Assessment of toxic elements in water of semi-urban areas of assam and investigation of disease related contaminants Funding agency:Ministry of Environment and Forest.. F.No/9/18/2007-RE/2008” 2008-13 As CO-PI ~ 13 lakhs.
Project title: Quantum Mechanics and molecular mechanics in studying physio-chemical properties of anticancer drugs: Evaluation of molecular Similarity and diversity in drug design, Funding agency : UGC: 8F31-105/2005(SR/2006-9, ~4 Lakhs.
Project title: Development of Ruthenium based anticancer drugs” Funding agency: DST: SR/SS/MBD-04/2007(2008-14) As CO-PI, ~ 40 lakhs.
Project title: Education on the waterborne diseases and harmful effect to heavy metal contaminants in domestic water for improvement of health condition of SC/ST communities. Funding agency DST, 954/IFD/2015-16/ , Rs 14,83,000/ .
(a) Editorial board member; Clarion, Interdisciplinary journal.
(b) Editorial board member, Indain journal of Pharmacy and Research
(c) Regular Reviewer of Journals:
(i) Medicinal Chemistry Research; (ii) Indian Journal of Chemistry; (iii) Reviewed J of Hazardous material; (iv)Journal of American Chemical
(d) Involved in preparing PG and undergraduate syllabi in Chemistry,
(e) As coordinator 4 years BS(Chemical Science)/B.Tech courses have been prepared.
(e) Initiated science education for blind people. The following certificate courses have been introduced for Disabled people:
(i) Basic computer literacy.
(ii) Foundation course on Science education for Visually impaired students.
C. Developed computational Chemistry Software named “JoinMolecule”.
D. Organised International and National Seminar.
1. International seminar on drug designing and molecular modeling application , 2012. (Accelyrs inc USA)
2. International year of Chemistry, 2011.Department of Science Technology(NCSTC)