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Dr. J. Muthukumaran

Dr. J. Muthukumaran

Associate Professor, Biotechnology

j.muthukumaran@sharda.ac.in

About

I did my PhD Bioinformatics in Pondicherry Central University, Pondicherry, India in the year of 2013. After this, I moved to Portugal for my Postdoctoral Research (2013 to 2019). Being the deep interest in computational Biology, I involve various research areas mainly (a) Structure-Based Drug Designing and Discovery, (b) Understanding the Bio-molecular interactions, (c) SNP data analysis, (d) Structural and Functional annotations of hypothetical proteins (e) Chemical Crystallography  and (e) Software and Database development. I had nearly 6 years teaching and 14 years of research experiences. I have published 87 international research articles in various reputed journals and 3 book chapters in Springer Publishers.

Experience
  • Teaching: 7 Years, Research: 16 Years
Qualification
  • MSc.
  • MPhil.
  • Ph.D
Award & Recognition

  • JRF (Ministry of Electronics and Information Technology, New Delhi, India) Host Institute: Centre for Bioinformatics, Pondicherry University, Puducherry, India
  • SRF (Council of Scientific and Industrial Research, New Delhi, India) Host Institute: Centre for Bioinformatics, Pondicherry University, Puducherry, India
  • PDF (Foundation for Science and Technology, Portugal) Host Institute: Macromolecular Crystallography, Department of Chemistry, New University of Lisbon, Portugal.

Research

Book Chapters:

03. Jain, M. Muthukumaran J, et al. (2023). Introduction to Protein Therapeutics. In: Singh, D.B., Tripathi, T. (eds) Protein-based Therapeutics. Springer, Singapore. https://doi.org/10.1007/978-981-19-8249-1_1

02. Ekampreet Singh, Rameez Jabeer Khan, Rajat Kumar Jha, GizachewMulunehAmera, Monika Jain, Rashmi Prabha, J.Muthukumaran, Amit Kumar Singh. (2021) Ligand-Based Approaches for the Development of Drugs Against SARS-CoV-2. In:.Methods in Pharmacology and Toxicology.Springer,New York,NY.https://doi.org/10.1007/7653_2020_65

01. Ekampreet Singh, Rameez Jabeer Khan, Rajat Kumar Jha, GizachewMulunehAmera, Monika Jain, Rashmi Prabha, Muthukumaran,J,Amit Kumar Singh.(2021) Computational Drug Repurposing for the Development of Drugs Against Coronaviruses.In:.Methods in PharmacologyandToxicology.Springer,NewYork,NY.https://doi.org/10.1007/7653_2020_68

Publication:

87. Mahur, P., Sharma, A., Jahan, G., Adithya, S. G., Singh, A. K., Muthukumaran, J., & Jain, M. (2024). Understanding Genetic Risks: Computational Exploration of Human β-Synuclein nsSNPs and their Potential Impact on Structural Alteration. Neuroscience Letters, 833, 137826.

86. Ali, M. S., Al-Lohedan, H. A., Bhati, R., & Muthukumaran, J. (2024). Interaction of the lysozyme with anticoagulant drug warfarin: Spectroscopic and computational analyses. Heliyon, 10(10).

85. Sharma, A., Mahur, P., Singh, A. K., Muthukumaran, J., & Jain, M. (2024). Insights into the structural and functional analysis of impact of the missense mutations on α-synuclein: an in silico study. Egyptian Journal of Medical Human Genetics, 25(1), 60.

84. Adamu, R. M., Ibrahim, M. A., Uba, A. I., Fadare, O. A., & Muthukumaran, J. (2024). Discovery of natural dual inhibitors from ZINC database targeting thymic stromal lymphopoietin (TSLP) and interleukin-33 (IL-33) as potential anti-allergy agents. Chemical Papers, 1-16.

83. Sharma, A., Singh, A. K., Muthukumaran, J., & Jain, M. (2024). Targeting MurB from Helicobacter pylori: insights from virtual screening, molecular docking and molecular dynamics simulation. Molecular Simulation, 50(5), 379-393.

82. Kumar, A., Singh, P., Singh, E., Jain, M., Muthukumaran, J., & Singh, A. K. (2024). In silico strategies for identifying therapeutic candidates against Acinetobacter baumannii: spotlight on the UDP-N-acetylmuramoyl-L-alanine-D-glutamate: meso-diaminopimelate ligase (MurE). Journal of Biomolecular Structure and Dynamics, 1-15.

81. Zia, M. P., Jain, M., Muthukumaran, J., & Singh, A. K. (2024). Exploration of potential hit compounds targeting 1-deoxy-d-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii: an in silico investigation. 3 Biotech, 14(3), 72. https://doi.org/10.1007/s13205-024-03923-w

80. Bhati, S. K., Jain, M., Muthukumaran, J., & Singh, A. K. (2024). Computational identification of candidate inhibitors for Dihydrofolate reductase in  Acinetobacter baumannii. Current research in structural biology, 7, 100127. https://doi.org/10.1016/j.crstbi.2024.100127 

79. Rao, H.S.P., Gunasundari, R., Adigopula, L.N. & Muthukumaran, J (2024)  Design, synthesis, molecular docking, and biological activity of pyrazolopyridines as promising lead candidates against Mycobacterium tuberculosis. Med Chem Res 33, 177–200 (2024). https://doi.org/10.1007/s00044-023-03173-0

78. Jha, R. K., Singh, E., Khan, R. J., Kumar, A., Jain, M., Muthukumaran, J., & Singh, A. K. (2023). Droperidol as a potential inhibitor of acyl-homoserine lactone synthase from A. baumannii: insights from virtual screening, MD simulations and MM/PBSA calculations. Molecular diversity, 27(5), 1979–1999. https://doi.org/10.1007/s11030-022-10533-2

77. Bhati, R., Zadeng, H., Singh, E., Kumar, A., Jain, M., Senthil Kumaran, J., Singh, A. K., & Muthukumaran, J. (2023). Molecular dynamics simulations assisted investigation of phytochemicals as potential lead candidates against anti-apoptotic Bcl-B protein. Journal of biomolecular structure & dynamics, 1–15. Advance online publication. https://doi.org/10.1080/07391102.2023.2295385

76. Ali, M. S., Al-Lohedan, H. A., Bhati, R., & Muthukumaran, J. (2023). Probing the interaction of lysozyme with cardiac glycoside digitoxin: experimental and in silico analyses. Frontiers in molecular biosciences, 10, 1327740. https://doi.org/10.3389/fmolb.2023.1327740

75. Sajid Ali M, Singh E, Muthukumaran J, Al-Lohedan HA. Non-Steroidal Anti-Inflammatory Drug Effect on the Binding of Plasma Protein with Antibiotic Drug Ceftazidime: Spectroscopic and In Silico Investigation. Int J Mol Sci. 2023 Sep 30;24(19):14811. doi: 10.3390/ijms241914811.

74. Bhati SK, Jain M, Muthukumaran J, Singh AK. A computational perspective towards the identification of promising lead molecules against 6-hydroxy-methyl dihydropterin pyrophosphokinase (HPPK) from Acinetobacter baumannii. J Biomol Struct Dyn. 2023 Jul 25:1-10. doi: 10.1080/07391102.2023.2240423. 

73. Kumar, A., Singh, E., Jha, R. K., Khan, R. J., Jain, M., Varshney, S., Muthukumaran, J., & Singh, A. K. (2023). Targeting multi-drug-resistant Acinetobacter baumannii: a structure-based approach to identify the promising lead candidates against glutamate racemase. J Mol Model., 29(6), 188. https://doi.org/10.1007/s00894-023-05587-4

72. Ali, M. S., Muthukumaran, J., Jain, M., Tariq, M., Al-Lohedan, H. A., & Al-Sanea, A. S. S. (2023). Detailed Experimental and In Silico Investigation of Indomethacin Binding with Human Serum Albumin Considering Primary and Secondary Binding Sites. Molecules (Basel, Switzerland), 28(7), 2979. https://doi.org/10.3390/molecules28072979

71. Khan RJ, Singh E, Jha RK, Kumar A, Bhati SK, Zia MP, Jain M, Singh RP, Muthukumaran J, Singh AK. Identification and prioritization of potential therapeutic molecules against LpxA from Acinetobacter baumannii - A computational study. Curr Res Struct Biol. 2023 Feb 15;5:100096. doi: 10.1016/j.crstbi.2023.100096.

70. Parveez Zia M, Singh E, Jain M, Muthukumaran J, Singh AK. Structural and functional characterization of 1-deoxy-D-xylulose-5-phosphate synthase (DXS) from Acinetobacter baumannii: identification of promising lead molecules from virtual screening, molecular docking and molecular dynamics simulations. J Biomol Struct Dyn. 2023 Feb 8:1-14. doi: 10.1080/07391102.2023.2174598. 

69. Sharma, A., Mahur, P., Muthukumaran, J., Singh, A. K., & Jain, M. (2023). Shedding light on structure, function and regulation of human sirtuins: a comprehensive review. 3 Biotech, 13(1), 29. https://doi.org/10.1007/s13205-022-03455-1 (Review Paper)

68. Mangal P, Jha RK, Jain M, Singh AK, Muthukumaran J. Identification and prioritization of promising lead molecules from Syzygium aromaticum against Sortase C from Streptococcus pyogenes: an in silico investigation. J Biomol Struct Dyn. 2023 Jul-Aug;41(12):5418-5435. doi: 10.1080/07391102.2022.2086921. 

67. Parthiban A, Sachithanandam V, Lalitha P, Elumalai D, Asha RN, Jeyakumar TC, Muthukumaran J, Jain M, Jayabal K, Mageswaran T, Sridhar R, Purvaja R, Ramesh R. Isolation and biological evaluation 7-hydroxy flavone from Avicennia officinalis L: insights from extensive in vitro, DFT, molecular docking and molecular dynamics simulation studies. J Biomol Struct Dyn. 2023 Apr;41(7):2848-2860. doi: 10.1080/07391102.2022.2039771.

66. Parthiban A, Sachithanandam V, Lalitha P, Muthukumaran J, Misra R, Jain M, Sridhar R, Mageswaran T, Purvaja R, Ramesh R. Isolation, characterisation, anticancer and anti-oxidant activities of 2-methoxy mucic acid from Rhizophora apiculata: an in vitro and in silico studies. J Biomol Struct Dyn. 2023 Mar;41(4):1424-1436. doi: 10.1080/07391102.2021.2020688

65. Robin S, Hassine KB, Muthukumaran J, JurkovicMlakar S, Krajinovic M, Nava T, Uppugunduri CRS, Ansari M. A potential implication of UDP-glucuronosyltransferase 2B10 in the detoxification of drugs used in pediatric hematopoietic stem cell transplantation setting: an in silico investigation. BMC Mol Cell Biol. 2022 Jan 21;23(1):5. doi: 10.1186/s12860-021-00402-5

64. Singh E, Jha RK, Khan RJ, Kumar A, Jain M, Muthukumaran J, Singh AK. A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2. Comput Biol Chem. 2022 Aug;99:107721. doi: 10.1016/j.compbiolchem.2022.107721.

63. Jha RK, Jabeer Khan R, Singh E, Kumar A, Jain M, Muthukumaran J, Singh AK. An extensive computational study to identify potential inhibitors of Acyl-homoserine-lactone synthase from Acinetobacter baumannii (strain AYE). J Mol Graph Model. 2022 Jul;114:108168. doi: 10.1016/j.jmgm.2022.108168.

62. Surya Prakash Rao, H., Prabakar, M. &Muthukumaran, J. Ethyl 10-cyano-7-hydroxy-6-oxo-3-phenyl-8,9,10,10a-tetrahydro-6H-benzochromene-10-carboxylate (2022). IUCrData 7. https://doi.org/10.1107/S2414314622001997

61. Monika Jain, Gizachew Muluneh Amera, Muthukumaran J, Amit Kumar Singh, Insights into biological role of plant defense proteins: A review, Biocatal Agric Biotechnol. , 40, 2022,102293, https://doi.org/10.1016/j.bcab.2022.102293.

60. Jha RK, Khan RJ, Parthiban A, Singh E, Jain M, Amera GM, Singh RP, Ramachandran P, Ramachandran R, Sachithanandam V, Muthukumaran J, Singh AK. Identifying the natural compound Catechin from tropical mangrove plants as a potential lead candidate against 3CLpro from SARS-CoV-2: An integrated in silico approach. J Biomol Struct Dyn. 2022;40(24):13392-13411. doi: 10.1080/07391102.2021.1988710. 

59. Ali MS, Muthukumaran J, Jain M, Al-Lohedan HA, Farah MA, Alsowilem OI. Experimental and computational investigation on the binding of anticancer drug gemcitabine with bovine serum albumin. J Biomol Struct Dyn. 2022;40(19):9144-9157. doi: 10.1080/07391102.2021.1924270

58. Sachithanandam V, Lalitha P, Parthiban A, Muthukumaran J, Jain M, Misra R, Mageswaran T, Sridhar R, Purvaja R, Ramesh R. A comprehensive in silico and in vitro studies on quinizarin: a promising phytochemical derived from Rhizophora mucronata Lam. J Biomol Struct Dyn. 2022 Oct;40(16):7218-7229. doi: 10.1080/07391102.2021.1894983. 

57. Uppugunduri CRS, Muthukumaran J, Robin S, Santos-Silva T, Ansari M. In silico and in vitro investigations on the protein-protein interactions of glutathione S-transferases with mitogen-activated protein kinase 8 and apoptosis signal-regulating kinase 1. J Biomol Struct Dyn. 2022 Feb;40(3):1430-1440. doi: 10.1080/07391102.2020.1827036.

56. Khan RJ, Jha RK, Singh E, Jain M, Amera GM, Singh RP, Muthukumaran J, Singh AK. Identification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an in silico assisted drug-repurposing study. J Biomol Struct Dyn. 2022 Jan;40(1):438-448. doi: 10.1080/07391102.2020.1814870.

55. Ali, M. S., Muthukumaran, J., Jain, M., Santos-Silva, T., Al-Lohedan, H. A., & Al-Shuail, N. S. (2021). Molecular interactions of cefoperazone with bovine serum albumin: Extensive experimental and computational investigations. J. Mol. Liq., 337, 116354.

54. Ali, M. S., Muthukumaran, J., Jain, M., Al-Sanea, A. S. S., & Al-Lohedan, H. A. (2021). Experimental and in silico investigation on the interaction of indomethacin with bovine serum albumin: Effect of sodium dodecyl sulfate surfactant monomers on the binding. J. Mol. Liq. 336, 116858.

53. Rao, H. S. P., Poonguzhali, E., & Muthukumaran, J. (2021). Synthesis and conformational studies on 1-aryl-cis-2, 6-diphenylpiperidines. J. Mol. Struct. 1232, 130065.

52. Singh E, Khan RJ, Jha RK, Amera GM, Jain M, Singh RP, Muthukumaran J, Singh AK. A comprehensive review on promising anti-viral therapeutic candidates identified against main protease from SARS-CoV-2  through  various computational methods. J Genet Eng Biotechnol. 2020 Nov 3;18(1):69. doi: 10.1186/s43141-020-00085-z.PMID: 33141358; PMCID: PMC7607901. (Review Paper)

51.Jha RK, Khan RJ, Amera GM, Singh E, Pathak A, Jain M, Muthukumaran J, Singh AK. Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA analysis. J Mol Model. 2020 Oct 17;26(11):304. doi: 10.1007/s00894-020-04557-4. PMID: 33068184.

50. Sachithanandam V, Parthiban A, Lalitha P, Muthukumaran J, Jain M, Elumalai D, Jayabal K, Sridhar R, Ramachandran P, Ramachandran R. Biological evaluation of gallic acid and quercetin derived from Ceriops tagal: insights from extensive in vitro and in silico studies. J Biomol Struct Dyn. 2020 Sep 30:1-13.

49. Rao, H.S.P., Gunasundari, R. &Muthukumaran J. (2020). Crystal structure analysis of ethyl 6-(4- methoxyphenyl)-1- methyl-4-methylsulfanyl-3-phenyl-1H-pyrazolopyridine-5-carboxylate, Acta Cryst. E76: 1209-1212

48. Amera GM, Khan RJ, Pathak A, Jha RK, Jain M, Muthukumaran J, Singh AK. Structure based drug designing and discovery of promising lead molecules against UDP-N-acetylenolpyruvoylglucosamine reductase (MurB): A potential drug target in multi-drug resistant Acinetobacter baumannii. J Mol Graph Model. 2020 Nov;100:107675. doi: 10.1016/j.jmgm.2020.107675.

47. Jain M, Muthukumaran J, Singh AK. Comparative structural and functional analysis of STL and SLL, chitin-binding lectins from Solanum spp. J Biomol Struct Dyn. 2021 Aug;39(13):4907-4922. doi: 10.1080/07391102.2020.1781693

46. Khan RJ, Jha RK, Amera GM, Muthukumaran J, Singh RP, Singh AK. A Comprehensive In Silico Study Towards Understanding the Inhibitory Mechanism of Lactoperoxidase by Dapsone and Propofol. Curr Comput Aided Drug Des. 2021;17(4):550-559. doi: 10.2174/1573409916666200628104134.

45. Khan RJ, Jha RK, Amera GM, Jain M, Singh E, Pathak A, Singh RP, Muthukumaran J, Singh AK. Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2'-O-ribose methyltransferase. J Biomol Struct Dyn. 2021 May;39(8):2679-2692. doi: 10.1080/07391102.2020.1753577.

44. Mohd. Sajid Ali, Muthukumaran J and Hamad A. Al-Lohedan. (2020) Molecular interactions of ceftazidime with bovine serum albumin: Spectroscopic, molecular docking, and DFT analyses, J. Mol. Liq. 313:113490

43. Amera, GM., Khan,RJ., Jha, KR, Pathak, A., Muthukumaran J and Singh, AK, (2020). Prioritization of Mur Family Drug Targets against A. baumannii and identification of their homologous proteins through Molecular Phylogeny, Primary Sequence and Structural Analysis. J Genet Eng Biotechnol. 18(1):33.

42. Amera GM, Khan RJ, Pathak A, Jha RK, Muthukumaran J, Singh AK. Computer aided ligand based screening for identification of promising molecules against enzymes involved in peptidoglycan biosynthetic pathway from Acinetobacter baumannii. Microb Pathog. 2020 Oct;147:104205. doi: 10.1016/j.micpath.2020.104205.

41. Jain M, Muthukumaran J, Singh AK. Structural and functional characterization of chitin binding lectin from Datura stramonium: insights from phylogenetic analysis, protein structure prediction, molecular docking and molecular dynamics simulation. J Biomol Struct Dyn. 2021 Mar;39(5):1698-1716. doi: 10.1080/07391102.2020.1737234

40. Rao, H.S.P., Gunasundari, R. &Muthukumaran J. (2020). Crystal structure analysis of ethyl 3-(4- chloro- phen-yl)-1,6-dimethyl-4-methyl-sulfanyl-1H-pyrazolopyridine-5-carboxyl-ate, Acta Cryst. (2020). E76, 443-445

39. Amera GM, Khan RJ, Pathak A, Jha RK, Muthukumaran J, Singh AK. Screening of promising molecules against MurG as drug target in multi-drug-resistant-Acinetobacter baumannii - insights from comparative protein modeling, molecular docking and molecular dynamics simulation. J Biomol Struct Dyn. 2020 Oct;38(17):5230-5252. doi: 10.1080/07391102.2019.1700167.

38.  Muthukumaran  J,  Coelho  C,  Santos‐Silva  T,  João  Romão  M.  Systematic  exploration  of  predicted  destabilizing nonsynonymous  single    nucleotide    polymorphisms    (nsSNPs)    of    human    aldehyde    oxidase:    A    Bio‐    informatics study. Pharmacol Res Perspect. 2019; e00538.

37. Muthukumaran J, Ramos J, Freire F, Paquete-Ferreira J, Otrelo-Cardoso AR, Svergun D, Panjkovich A, Santos-Silva T (2019) Shedding Light on the Interaction of Human Anti-Apoptotic Bcl-2 Protein with Ligands through Biophysical and in Silico Studies. Int J Mol Sci 20, 860.

36. Alves-Barroco C, Roma-Rodrigues C, Balasubramanian N, Guimarães MA, Ferreira-Carvalho BT, Muthukumaran J, Nunes D, Fortunato E, Martins R, Santos-Silva T, Figueiredo AMS, Fernandes AR, Santos- Sanches I (2019)Biofilm development and computational screening for new putative inhibitors of a homolog of the regulatory protein BrpA in Streptococcus dysgalactiae subsp. dysgalactiae. Int. J Med Microbiol 309(3-4):169-181

35. Patricia Huezo-Diaz, Chakradhara Rao Uppugunduri S, Muthukumaran J, Mohamed Aziz Rezgui, Christina Peters,  Peter Bader, Michel Duval, Henrique Bittencourt, Maja Krajinovic and Marc Ansari (2018) Association of CTH Variant with Sinusoidal Obstruction Syndrome in Children Receiving Intravenous Busulfan and Cyclophosphamide before Hematopoietic Stem Cell Transplantation, Pharmacogenomics J. 18, 64–69

34. Parthiban, A., Kumaravel, M., Muthukumaran J., Rukkumani, R., Krishna, R., Rao, H.S.P. (2016) Synthesis, in vitro  and in silico anti-proliferative activity of 4-aryl-4H-chromene derivatives. Med Chem Res 25 (7): 1308–1315

33. Kodidela S, Pradhan SC, Muthukumaran J, Dubashi B, Santos-Silva T, et al. (2016) Genotype Distribution of Dihydrofolatereductase Variants and their Role in Disease Susceptibility to Acute Lymphoblastic Leukemia in Indian Population: An Experimental and Computational Analysis. J Leuk 4:209.

32. Martins M, Baptista PV, Mendo AS, Correia C, Videira P, Rodrigues AS, Muthukumaran J, Santos-Silva T, Silva A, Guedes da Silva MF, Gigante J, Duarte A, Gajewska M, Fernandes AR (2016) In vitro and in vivo biological characterization of the anti-proliferative potential of a cyclic trinuclear organotin(iv) complex. Mol Biosyst. 12(3):1015-23.

31. Parthiban A, Muthukumaran J, Manhas A, Srivastava K, Krishna R, Rao HS (2015) Synthesis, in vitro and in silico antimalarial activity of 7-chloroquinoline and 4H-chromene conjugates. Bioorg Med Chem Lett. 25(20):4657- 63

30. J. Senthil Kumaran, Muthukumaran J, N. Jayachandramani and S. Mahalakshmia, Synthesis, characterization, in silico DNA studies and antibacterial evaluation of transition metal complexes of thiazole based pyrazolone Schiff base, J. Chem. Pharm. Res. 2015, 7(4):1397-1409

29. Parthiban, A., Kumaravel, M., Muthukumaran J, Rukkumani, R., Krishna, R., Rao, H.S.P. (2015) Design, synthesis, in vitro and in silico anti-cancer activity of 4H-chromenes with C4-active methine groups, Med Chem Res 24 (3): 1226-1240.

28. Parthiban, A., Muthukumaran J, Moushumi Priya, A., Jayachandran, S., Krishna, R., Rao, H.S.P. (2014). Design, synthesis, molecular docking and biological evaluation of N-methyl-3-nitro-4-(nitromethyl)-4H- chromen-2- amine  derivatives as potential anticancer agents. Med Chem Res, 23 (2): 642-659

27. Surekha Kanagarajan, NachiappanMutharasappan, Prabhu Dhamodharan, Muthukumaran J, Krishna Ramadas, JeyakanthanJeyaraman (2014) Exploring the structural features of Aspartate Trans Carbamoylase (TtATCase) from Thermus thermophilus HB8 through in silico approaches: A potential drug target for inborn error of pyrimidine metabolism, J Biomol Struct Dyn, 32(4):591-601

26. J. Senthil Kumaran, S. Priya, Muthukumaran J, N. Jayachandramani and S. Mahalakshmia, Synthesis, characterization and biological studies of Cu(II), Co(II), Ni(II) and Zn(II) complexes of tetradentate Schiff base ligand, J. Chem. Pharm. Res. 2013, 5(7):56-69

25. ManivelPanneerselvam, Kannan Muthu, Muthukumaran J, Upasana Sridharan, Pranitha Jenardhanan and Krishna Ramadas (2013), Molecular Dynamic Simulations of Tubulin-Human Gamma Synuclein Complex: Structural Insight into the regulatory mechanism involved in inducing resistance against Taxol, Molecular BioSystems ,9, 1470-1488

24. Muthukumaran J, A. Parthiban, H. Surya Prakash Rao & R. Krishna (2012), 6-Ethyl-N-methyl-3-nitro- 4-nitromethyl- 4H-chromen-2-amine, Acta Cryst. E68:o180-o181

23. M. Kannan, P. Manivel , K. Geetha, Muthukumaran J, H. Surya Prakash Rao & R. Krishna (2012), Synthesis and in silico evaluation of 1N-methyl-1S-methyl-2-nitroethylene (NMSM) derivatives against Alzheimer disease: to understand their interacting mechanism with Acetylcholinesterase, J Chem Biol, 5: 151-166

22. Kannan Muthu, ManivelPanneerselvam, Muthukumaran J, Nishith Saurav Topno, Arindam Atanu Das & Ramadas Krishna (2012), Structural insights into interacting mechanism of ID1 protein with an antagonist ID1/3-PA7 and agonist ETS- 1 in treatment of ovarian cancer: molecular docking and dynamics studies, J Mol Model, 18: 4865-4884

21. P. Manivel, Muthukumaran J, M. Kannan & R. Krishna (2011), Insight into residues involved in the structure and function of the breast cancer associated protein human gamma synuclein, J Mol Model, 17:251-263

20. Muthukumaran J, A. Parthiban, H. Surya Prakash Rao & R. Krishna (2011), An X-ray crystallographic study of N- methyl-3-nitro-4-nitromethyl-4H-chromen-2-amine, J Chem Crystallogr, 41:1927–1934

19. Muthukumaran J, A.Parthiban, P.Manivel, H.Surya Prakash Rao &R.Krishna (2011), 4--N- methyl-3-nitro-4H-chromen-2-amine, Acta Cryst. E67: o1395-o1396

18. Muthukumaran J, Karthikeyan S, Satheesh G, Manimaran, B & Krishna R (2011), Butane-1,4-diyl bis(pyridine-4- carboxylate), Acta Cryst. E67: o1803

17. Muthukumaran J, Nishandhini M, Chitra S, Muthusubramanian S, Manisankar P, Bhattacharya S, Krishna R. &Jeyakanthan, J (2011), 4-{(4-Chlorophenyl)methyl}- 4,5,6,7- tetrahydro-1,2,3- benzoselenadiazole, Acta Cryst. E67: o1421-o1422

16. Muthukumaran J, Nachiappan M, Chitra S, Muthusubramanian S, Manisankar P, Bhattacharya S, Krishna R. &Jeyakanthan, J (2011), 1-(2-Naphthyl)-3-phenyl-3-(4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol-4- yl)propan-1- one, Acta Cryst. E67: o2010-o2011

15. Muthukumaran J, Nishandhini M, Chitra S, Muthusubramanian S, Manisankar P, Bhattacharya S, Krishna R. &Jeyakanthan, J (2011), 3-(4-Methylphenyl)-1-phenyl-3-(4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol-4- yl)propan-1-one, Acta Cryst. E67: o1660-o1661

14. Muthukumaran J, A. Parthiban, M. Kannan, H. Surya Prakash Rao & R. Krishna (2011), 6,8-Dichloro- N-methyl-3- nitro-4-nitromethyl-4H-chromen-2-amine, Acta Cryst. E67: o898-o899

13. Muthukumaran J, A. Parthiban, P. Manivel, H. Surya Prakash Rao & R. Krishna (2011), 6-Methoxy-N- methyl-3-nitro- 4-nitromethyl-4H-chromen-2-amine, Acta Cryst. E67: o1276-o1277

12. Muthukumaran J, P. Manivel, M. Kannan, J. Jeyakanthan& R. Krishna (2011), A framework for classification of antifreeze proteins in over wintering plants based on their sequence and structural features, J Bioinform Seq Anal, 3: 70-88

11. Muthukumaran J, P. Manivel, M. Kannan, J. Jeyakanthan& R. Krishna (2011), Advancement in computational analysis methods of plant antifreeze proteins (AFPs): An application towards classification and gene expression studies of leucine rich repeat (LRR) and ice-recrystallization inhibition domain (IRI) containing AFPs, J Comput Biol Bioinform Res, 3: 65-82

10. Muthukumaran J, MannuJayakanthan, Sanniyasi Chandrasekar and Premendu P. Mathur (2011), Bind-Predict: An algorithm for identifying zinc fingerbinding motifs in DNA sequences, J Comput Biol Bioinform Res, 3: 91-102

9. Karthikeyan S, Muthukumaran J, Krishna R. and Manimaran, B (2011), 2,2'-diphenol, Acta Cryst. E67: o1765-o1766

8. Muthukumaran J, Kannan M, Vanitha A, Manimaran B. & Krishna R (2010), Bis(-phenyltellurido- 2Te:Te)bis, Acta Cryst. E66: m558-m559

7. Vanitha A, Muthukumaran J, Krishna R &Manimaran, B (2010), Heptacarbonyl1 3C,24C-(4- phenylpyridine-1N)di-- phenyltellurido-1:24Te:Te-dirhenium(I), Acta Cryst E66: m518-m5

6. Ankita Punetha, Muthukumaran J, Anmol Jaywant Hemrom, Nagarajan Arumugam, MannuJayakanthan and Durai Sundar (2010) Towards understanding the regulation of rubber biosynthesis: Insights into the initiator and elongator enzymes. J Bioinform Seq Anal, 2: 1-10

5. Satyanarayana CR, Devendran A, Muthukumaran J, Mannu J, Mathur PP, Gopal SD, Rajagopal K, Chandrasekaran A (2009), Influence of the genetic polymorphisms in the 5' flanking and exonic regions of CYP2C19 on proguanil oxidation. Drug MetabPharmacokinet. 2009;24(6):537-48.

4. Jayakanthan M, Chandrasekar S, Muthukumaran J, Mathur PP (2009) Analysis of CYP3A4-HIV-1 protease drugs interactions by computational methods for Highly Active Antiretroviral Therapy in HIV/AIDS. J Mol Graph Model. 2010 Jan;28(5):455-63

3. Jayakanthan M, Muthukumaran J, Chandrasekar S, Chawla K, Punetha A, Sundar D (2009) ZifBASE: a database of zinc finger proteins and associated resources. BMC Genomics 10:421

2. Balachandran N, Kichenamourthy S, Muthukumaran J, Jayakanthan M, Chandrasekar S, Punetha A and Sundar D (2009) Diversity of true mangroves and their associates in the Pondicherry region of South India and development of a mangrove knowledgebase. J Ecol Nat Environ 1: 99-105

1. Karthick RNS, Muthukumaran J (2008) Prediction of Three Dimensional Model and Active Site Analysis of Inducible Serine Protease Inhibitor -2 (ISPI -2) in Galleria Mellonella. J Comput Sci Syst Biol 1: 119-125


 

Area of Interest

  • Chemical Crystallography and Protein Structural Biology