| 1 |
Insilico Studies of Molecular Property and Bioactivity of Organic Crystalline Compounds using Molinspiration, |
M. Suganya, MadhukarHemamalini, S. JoseKavitha, Venkatachalam Rajakannan |
International Research Journal of Engineering and Technology, |
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Feb 2020 |
Volume: 07 Issue: 02 |
| 2 |
Design and synthesis of imidazole-based zinc binding groups as novel small molecule inhibitors targeting Histone deacetylase enzymes in lung cancer. |
Saravanan Kandasamy, Prabhu Subramani, Selvi Subramani, John marshal Jayaraj, Gunasekaran Prasanth, Kannupal Srinivasan, Karthikeyan Muthusamy, Venkatachalam Rajakannan, Ravikumar Vilwanathan |
Journal of Molecular Structure |
Elsevier |
2020 |
128177 |
| 3 |
Synthesis, crystal structure, Hirshfeld surface analysis, In-Silico assessment of druggability and molecular docking studies of Schiff base compound. |
Necmi Dege, Alev Sema Ayd?n, Erbil A?ar, Sevgi Kans?z, Savaridasan JoseKavitha, Kasthuri BalaSubramani, Madhukar Hemamalini, Venkatachalam Rajakannan |
Chemical Data Collections |
Elsevier, Volume 25 |
2020 |
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| 4 |
2-Amino-6-chloropyridine–glutaric acid (1/1)2-Amino-6-chloropyridine–glutaric acid (1/1)2-Amino-6-chloropyridine–glutaric acid (1/1)2-Amino-6-chloropyridine–glutaric acid (1/1). . 4. |
Manickam, R. & Prabhaharan, M. & Jagadeesan, G. & Rajakannan, Venkatachalam & Srinivasan, G |
IUCrData |
IUCR |
2019 |
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| 5 |
2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate 2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate. |
Manickam, R. & Rajakannan, Venkatachalam & Prabhaharan, M. & Srinivasan, G. |
IUCrData |
IUCR |
2019 |
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| 6 |
Structural investigation of (2E)-2-(ethoxycarbonyl)-3-[(4-methoxyphenyl)amino]prop-2-enoic acid: X-ray crystal structure, spectroscopy and DFT. |
Perumal, Venkatesan & Rajakannan, Venkatachalam & Natarajan Sathiyamoorthy, Venkataramanan & Andivelu, Ilangovan & Sundius, Tom & Thamotharan, s |
Journal of Molecular Structure |
Elsevier |
2016 |
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| 7 |
Structure of C-Terminal Domain of the Multifunctional ICP27 Protein from Herpes Simplex Virus-1. Journal of virology. 89. 10.1128/JVI.00441-15. |
Patel, Vidhi & Dahlroth, Sue-Li & Rajakannan, Venkatachalam & Ho, Hai & Cornvik, Tobias & Nordlund, Pär. |
Journal of Virology |
Elsevier, Volume 89 |
2015 |
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| 8 |
Crystal structure of 3-amino-1-propylpyridinium bromide. |
Perumal, Venkatesan & Rajakannan, Venkatachalam & Thamotharan, s. |
Acta crystallographica. Section E |
Structure reports online. 70. |
2014 |
580-3 |
| 9 |
The crystal structure of the DNA-binding domain of vIRF-1 from the oncogenic KSHV reveals a conserved fold for DNA binding and reinforces its role as a transcription factor. |
Hew, Kelly & Dahlroth, Sue-Li & Rajakannan, Venkatachalam & Nasertorabi, Fariborz & Lim, Bee & Cornvik, Tobias & Nordlund, Pär. |
Nucleic acids research. |
41 |
2013 |
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| 10 |
2-Amino-5-chloropyrimidin-1-ium hydrogen maleate. |
Fun, Hoong-Kun & Hemamalini, Madhukar & Rajakannan, Venkatachalam. |
Acta crystallographica. Section E |
Structure reports online, 68 |
2012 |
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| 11 |
Structural Basis of Cooperativity in Human UDP-Glucose Dehydrogenase |
Rajakannan, Venkatachalam & Lee, Hui-Sun & Chong, Seon-Ha & Ryu, Han-Bong & Bae, Ji-Young & Whang, Eun-Young & Huh, Jae-Wan & Cho, Sung-Woo & Kang, Lin-Woo & Choe, Han & Robinson, Robert. |
PloS one |
6 |
2011 |
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| 12 |
4-Aminopyridinium 4-carboxybutanoate. |
Hoong-Kun, Fun & Madhukar, Hemamalini & Rajakannan, Venkatachalam. |
Acta Crystallographica Section E |
66 |
2010 |
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| 13 |
4-Aminopyridinium 2-hydroxybenzoate. Acta Crystallographica Section E. |
Hoong-Kun, Fun & Madhukar, Hemamalini & Rajakannan, Venkatachalam. |
Acta Crystallographica Section E |
66 |
2010 |
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| 14 |
Purification, crystallization and preliminary X-ray diffraction analysis of the HMG domain of Sox17 in complex with DNA. |
Ng, C.K., Palasingam, P., Venkatachalam, R., Baburajendran, N., Cheng, J.C., Jauch, R., & Kolatkar, P.R. |
Structural biology and crystallization communications |
Acta crystallographica. Section F |
2008 |
1184-7 |
| 15 |
Ab Initio Structure Determination of the Triple Mutant (K53,56,121M) of Bovine Pancreatic Phospholipase A(2) at Atomic and High Resolution Using ACORN. |
D. Velmurugan, V. Rajakannan, D. Gayathri, S. Banumathi, T. Yamane, Z. Dauter, M. Dauter and K. Sekar. |
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2006 |
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| 16 |
Atomic resolution (0.97 A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2.” , Structural biology and (2004): |
Kanagaraj Sekar, Venkatachalam Rajakannan, Dr Gayathri, D. Velmurugan, M-J Poi, Miroslawa Dauter, Zbigniew Dauter, M. Tsai. |
Acta crystallographica. Section F |
crystallization communications 61 Pt 1 |
2004 |
3-7 |
| 17 |
New copper(II) complexes of 2-hydroxyacetophenone N(4)-substituted thiosemicarbazones and polypyridyl co-ligands: Structural, electrochemical and antimicrobial studies. |
John, Rohith & Sreekanth, A. & Rajakannan, Venkatachalam & Ajith, T. & Kurup, M R. |
23 |
Polyhedron |
2004 |
2549-2559 |
| 18 |
A redetermination of the structure of the triple mutant (K53,56,120M) of phospholipase A2 at 1.6 A resolution using sulfur-SAS at 1.54 A wavelength. |
Sekar, K., Rajakannan, V., Velmurugan, D., Yamane, T., Thirumurugan, R., Dauter, M., & Dauter, Z |
Acta crystallographica. Section D, Biological crystallography |
60 |
2004 |
1586-90 |
| 19 |
Crystal structure analysis of 5-amino-7-(pyrrolidin-1-yl)-2,4,4-trimethyl-1,4-dihydro-1,6-naphthyridine-8-carbonitrile. |
Selvanayagam, Sivashanmugam & Rajakannan, Venkatachalam & Rao, S. & Raj, Siva & Fun, H. & Raghukumar, V. & Velmurugan, Devadasan. |
Crystal Research and Technology |
CRYST RES TECH. 39 |
2004 |
172-178 |
| 20 |
The use of ACORN in solving a 39.5 kDa macromolecule with 1.9 A resolution laboratory source data. 2004 Jul 1;:. doi: 10.1107/S0909049504011185. Epub 2004 Jun 23. |
Rajakannan V, Selvanayagam S, Yamane T, Shirai T, Kobayashi T, Ito S, Velmurugan D. |
J Synchrotron Radiat. |
11(Pt 4) |
2004 |
358-62 |
| 21 |
Applications of ACORN to data at 1.45 Å resolution. |
Rajakannan, Venkatachalam & Yamane, T & Shirai, Tsusyoshi & Kobayashi, Tohru & Ito, Susumu & Velmurugan, Devadasan. |
Journal of Synchrotron Radiation |
11 |
2004 |
64-67 |
| 22 |
6,22-Dioxaparazylenyl 2,10,18,26-tetrathia-33,35 diazapentacyclo[27.3.1.14,8.112,16.120,24]hexatriconta-4,6,8(36),12,14,16(35),20,22,24(34),28,30,32-dodecaene. |
Bhaskaran, Sundari & Selvanayagam, Sivashanmugam & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Narasingarao, S. & Dhanasekaran, M. & Rajakumar, P. & Kim, Moon?Jib. |
Acta Crystallographica Section E. |
59 |
2003 |
|
| 23 |
30,31-Dimethyl-3,26-dioxa-11,18-diazapentacyclo[26.4.0.04,9.012,17.020,25]dotriconta-1(32),4,6,8,12,14,16,20,22,24,28,30-dodecaene-10,19-dione. |
Bhaskaran, Sundari & Selvanayagam, Sivashanmugam & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Ravikumar, Kakara & Abdul Rasheed, Mohammed & Rajakumar, P. |
Acta Crystallographica Section E. 59. |
Acta Crystallographica Section E. 59. |
2003 |
|
| 24 |
34,35-Dimethyl-13,20-dioxa-10,23-diaza-3,30-dithiapentacyclo[30.4.0.04,9.014,19.024,29]hexatriconta-1(36),4,6,8,14,16,18,24,26,28,32,34-dodecane-11,22-dione. |
Bhaskaran, Sundari & Selvanayagam, Sivashanmugam & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Ravikumar, Kakara & Abdul Rasheed, Mohammed & Rajakumar, P |
Acta Crystallographica Section E. |
59 |
2003 |
|
| 25 |
4-Acetamido-2-methoxy-5-[3-(phenylsulfanyl) indole-2-carbonyl] benzoic Acid. |
Rajakannan, V., Selvanayagam, S., Yogavel, M., Govindasamy, L., Velmurugan, D., Shanmuga Sundara Raj, S., Fun, H.-K. & Srinivasan, P. C. |
Acta Cryst. E59 |
Acta Cryst. E59 |
2003 |
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| 26 |
3-Phenyl-4a,5-dihydro-1,2,4-triazolo[3,4-b][1,3]benzothiazine. |
Aravindan, P. & Rajakannan, Venkatachalam & Manickam, Yogavel & Velmurugan, Devadasan & Suh, Il?Hawn & Senthilvelan, A. |
Acta Crystallographica Section E. |
Acta Crystallographica Section E. 59. |
2003 |
|
| 27 |
2-Hydroxy-4,4-dimethyl-N-(4-methylphenyl-6-oxocyclohexanylacetamide. |
Selvanayagam, Sivashanmugam & Manickam, Yogavel & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Raj, Siva & Fun, Hoong?Kun. |
Acta Crystallographica Section E. |
Acta Crystallographica Section E. 59. |
2003 |
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| 28 |
Crystal structure of 3-hydroxy methyl 4,6-dimethoxy-9-phenylsulfonyl-carbazole. |
Govindasamy (Govinda), La & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Mohanakrishnan, Arasambattu & Srinivasan, P.. |
Crystal Research and Technology |
CRYST RES TECH. 39 |
2003 |
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| 29 |
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Govind, M. & Govindaraj, J. & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Kim, Moon & Srinivasan, P. & Kannadasan, S |
Acta Crystallographica Section E-structure Reports Online |
ACTA CRYSTALLOGR E-STRUCT REP. |
2003 |
2-Bromo-N-[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]-4-methylaniline. |
| 30 |
5-Amino-4-(4-dimethylaminophenyl)-2-(4-methoxyphenyl)-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile. |
Bhaskaran, Sundari & Manickam, Yogavel & Rajakannan, Venkatachalam & Krishna, Raghuram & Velmurugan, Devadasan & Raghukumar, V.. |
Acta Crystallographica Section E. |
Acta Crystallographica Section E. 59. |
2003 |
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| 31 |
Observation of Additional Calcium Ion in the Crystal Structure of the Triple Mutant K56,120,121M of Bovine Pancreatic Phospholipase A2. . 10.1016/S0022-2836(02)01132-4. |
Manickam, Yogavel & Rajakannan, Venkatachalam & Krishna, Raghuram & Velmurugan, Devadasan & Raghukumar, V. |
Journal of molecular biology |
Journal of molecular biology. 324. |
2002 |
755-62 |
| 32 |
2-Methoxybenzaldehyde thiosemicarbazone. |
Selvanayagam, Sivashanmugam & Manickam, Yogavel & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Raj, Siva & Fun, Hoong?Kun. |
Acta Crystallographica Section E |
Acta Crystallographica Section E. 58 |
2002 |
|
| 33 |
2,6Bis( N,N ′-benzotriazol-1-ylmethyl)pyridine. |
Selvanayagam, Sivashanmugam & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Dhanasekaran, M. & Rajakumar, P. & Moon, Jib-Kim. |
Acta Crystallographica Section E-structure Reports Online |
ACTA CRYSTALLOGR E-STRUCT REP. 58. |
2002 |
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| 34 |
2-Bromo-N-[3-bromo-N-(phenylsulfonyl)indol-2-ylmethyl]aniline. 10.1107/S1600536802018457. |
Govind, M. & Govindaraj, J. & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Kim, Moon?Jib & Srinivasan, P. & Kannadasan, S. |
Acta Crystallographica Section E. |
Acta Crystallographica Section E. 58. |
2002 |
|
| 35 |
2,6-Bis(N,N′-benzotriazol-1-ylmethyl)pyridine. |
Selvanayagam, Sivashanmugam & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Dhanasekaran, M. & Rajakumar, P. & Moon, Jib?Kim. |
Acta Crystallographica Section E. |
Acta Crystallographica Section E. 58 |
2002 |
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| 36 |
Crystal Structure of Dimeric Cu(II) Complex {μ,μ'-acetato O,O bis [N-salicylidene-2-amino-pyridine-methanolato N,N,O]} : perchlorate. |
Govindasamy (Govinda), La & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Raj, Siva & Rajendran, T. & Venkatesan, R. & Srinivasan, R. & Fun, H.. |
Crystal Research and Technology. |
Crystal Research and Technology. 37 |
2002 |
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| 37 |
Structural Studies on Three Plant Diterpenoids from Leonotis nepetaefolia. |
Govindasamy (Govinda), La & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Banumathi, S. & Vasanth, S. |
Crystal Research and Technology |
CRYST RES TECH. 37. |
2002 |
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| 38 |
4-Chloro-2-(4-chlorophenyl)-1-formyl-1,2-dihydroquinoline. |
Thinagar, S. & Velmurugan, Devadasan & Rajakannan, Venkatachalam & Suh, Il?Hwan & Akila, S. |
Acta Crystallographica Section E. |
Acta Crystallographica Section E. |
2002 |
|
| 39 |
Spiro[5-carbomethoxy-2-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolidine-3,3′-chroman-4′-one]. |
Nissa, M. & Rajakannan, Venkatachalam & Kim, Moon?Jib & Subramaniyan, G. & Raghava, Raghunathan & Velmurugan, Devadasan. |
Acta Crystallographica Section E. |
Acta Crystallographica Section E. |
2002 |
|
| 40 |
2-Bromo- N -[3-bromo- N -(phenylsulfonyl)indol-2-ylmethyl]aniline. |
Govind, M. & Govindaraj, J. & Rajakannan, Venkatachalam & Velmurugan, Devadasan & Kim, Moon-Jib & Srinivasan, P. & Kannadasan, S. |
Acta Crystallographica Section E-structure Reports Online |
ACTA CRYSTALLOGR E-STRUCT REP. 58. |
2002 |
|
| 41 |
Spiro[2-carbomethoxy-5-(4-methoxyphenyl)-3-phenylpyrrolidine-4,3′-chroman-4′-one]. |
Nissa, M. & Rajakannan, Venkatachalam & Kim, Moon?Jib & Velmurugan, Devadasan. |
Acta Crystallographica Section E. |
Acta Crystallographica Section E. 57. |
2001 |
|
| 42 |
A unique example of a pseudo-peptide containing noncoded amino acids self-assembling into a supramolecular β-sheet-like structure in crystals. |
Maji, Samir & Halder, Debesh & Velmurugan, Devadasan & Rajakannan, Venkatachalam & Banerjee, Arindam. |
Letters in Peptide Science. |
Letters in Peptide Science. 8. |
2001 |
61-67 |
| 43 |
2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate 2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate. |
Chakkarapani, N., Murugan, S., Ibrahim, A. R., Kavitha, S. J., Hemamalini, M. & Rajakannan, V. |
IUCR |
IUCR |
2020 |
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