Research Topics
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Publications
'FAS't inhibition of malariaAvadhesha Surolia
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560012, India or
Biochem J 383:401-12. 2004..The present review describes the role of these enzymes, the status of their molecular characterization and the current advancements in the area of developing inhibitors against each of the enzymes of the pathway...
Unusual sugar specificity of banana lectin from Musa paradisiaca and its probable evolutionary origin. Crystallographic and modelling studiesD D Singh
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, Karnataka, India
Glycobiology 15:1025-32. 2005..A comparison of the dimeric banana lectin with other beta-prism I fold lectins, provides interesting insights into the variability in their quaternary structure...
Paradigm shifts in malaria parasite biochemistry and anti-malarial chemotherapyNamita Surolia
Molecular Biology and Genetics Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore 560 064, India
Bioessays 24:192-6. 2002....
Cell surface receptor directed targeting of toxin to human malaria parasite, Plasmodium falciparumN Surolia
Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore, India
FEBS Lett 396:57-61. 1996..The transferrin toxin conjugate is significantly toxic to parasite growth and is 25 times more potent than toxin alone in inhibiting parasite protein synthesis. The mechanism of its entry into the intraerythrocytic parasite is discussed...
Unusual structural stability and ligand induced alterations in oligomerization of a galectinA Surolia
Molecular Biophysics Unit, Indian Institute of Science, Bangalore
FEBS Lett 409:417-20. 1997....
Exploring the interaction energies for the binding of hydroxydiphenyl ethers to enoyl-acyl carrier protein reductasesJayaraman Muralidharan
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
J Biomol Struct Dyn 20:589-94. 2003..e., B. napus, E. coli and P. falciparum. A comparison of their binding propensities thus determined should aid in the design of effective inhibitors for the respective enzymes...
Carbohydrate specificity and salt-bridge mediated conformational change in acidic winged bean agglutininN Manoj
Molecular Biophysics Unit, Indian Institute of Science, Bangalore, India
J Mol Biol 302:1129-37. 2000....
The reversible two-state unfolding of a monocot mannose-binding lectin from garlic bulbs reveals the dominant role of the dimeric interface in its stabilizationK Bachhawat
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560012, India
Biochemistry 40:7291-300. 2001..The small DeltaC(p) for the unfolding of ASAI reflects a relatively small, buried hydrophobic core in the folded dimeric protein...
Carbohydrate specificity and quaternary association in basic winged bean lectin: X-ray analysis of the lectin at 2.5 A resolutionM M Prabu
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
J Mol Biol 276:787-96. 1998..A relationship among the non-canonical modes of dimeric association in legume lectins is presented...
Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme actionBhaskar Chetnani
Molecular Biophysics Unit, Indian Institute of Science, Bangalore, India
Acta Crystallogr D Biol Crystallogr 65:312-25. 2009..Therefore, the results have to be treated with caution. However, the changes in the locations of ligands exhibited by M. tuberculosis pantothenate kinase are remarkable and novel...
Kinetic determinants of the interaction of enoyl-ACP reductase from Plasmodium falciparum with its substrates and inhibitorsM Kapoor
Molecular Biophysics Unit, Indian Institute of Science, Bangalore, India
Biochem Biophys Res Commun 289:832-7. 2001..Triclosan shows competitive kinetics with respect to NADH but is uncompetitive with respect to NAD(+), which shows that the binding of triclosan to the enzyme is facilitated in the presence of NAD(+)...
M. tuberculosis pantothenate kinase: dual substrate specificity and unusual changes in ligand locationsBhaskar Chetnani
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560012, India
J Mol Biol 400:171-85. 2010..Furthermore, the dual specificity of the mycobacterial enzyme appears to have been caused by a biological necessity...
Structural basis for the energetics of jacalin-sugar interactions: promiscuity versus specificityA Arockia Jeyaprakash
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
J Mol Biol 347:181-8. 2005..These results and other available evidence suggest that jacalin is specific to O-glycans and its affinity to N-glycans is extremely weak or non-existent and therefore of limited value in processes involving biological recognition...
Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structureS Kundhavai Natchiar
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
Acta Crystallogr D Biol Crystallogr 60:211-9. 2004..Small consistent movements occur in the combining site upon sugar binding, although the site is essentially preformed...
Thermodynamics of substrate binding to the chaperone SecBV G Panse
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
Biochemistry 39:2420-7. 2000..The data are consistent with a model where SecB binds substrate molecules at an exposed hydrophobic cleft. SecB aggregation in the absence of substrate is prevented by electrostatic repulsion between negatively charged SecB tetramers...
Structural basis for triclosan and NAD binding to enoyl-ACP reductase of Plasmodium falciparumK Suguna
Molecular Biophysics Unit, Indian Institute of Science, Bangalore, 560 012, India
Biochem Biophys Res Commun 283:224-8. 2001..The model indeed provided the structural rationale for its interaction with ligands and the cofactor and revealed unique characteristics of its binding site which could be exploited for improving the specificity of the inhibitors...
Legume lectin family, the 'natural mutants of the quaternary state', provide insights into the relationship between protein stability and oligomerizationV R Srinivas
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560012
Biochim Biophys Acta 1527:102-11. 2001....
Structures of the complexes of peanut lectin with methyl-beta-galactose and N-acetyllactosamine and a comparative study of carbohydrate binding in Gal/GalNAc-specific legume lectinsR Ravishankar
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
Acta Crystallogr D Biol Crystallogr 55:1375-82. 1999..The complexes also provide a qualitative structural rationale for differences in the strengths of binding of peanut lectin to different sugars...
Crystal structures of the peanut lectin-lactose complex at acidic pH: retention of unusual quaternary structure, empty and carbohydrate bound combining sites, molecular mimicry and crystal packing directed by interactions at the combining siteR Ravishankar
Molecular Biophysics Unit, Indian Institute of Science, Bangalore, India
Proteins 43:260-70. 2001..A comparison of the neutral and acidic pH crystal structures indicates that the molecular packing in the latter is directed to a substantial extent by the increased affinity of the peptide loop to the combining site at acidic pH...
Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificityA Arockia Jeyaprakash
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
J Mol Biol 338:757-70. 2004..This loop is four residues longer in artocarpin than in heltuba, providing an instance where variation in loop length is used as a strategy for generating carbohydrate specificity...
Crystal structure of the jacalin-T-antigen complex and a comparative study of lectin-T-antigen complexesA Arockia Jeyaprakash
Molecular Biophysics Unit, Indian Institute of Science, UGC Centre of Advanced Science, Bangalore, India
J Mol Biol 321:637-45. 2002..In either case, most of the lectin-disaccharide interactions are at the primary binding site. The conformation of T-antigen in the five complexes is nearly the same...
Effect of glycosylation on the structure of Erythrina corallodendron lectinK A Kulkarni
Molecular Biophysics Unit, Indian Institute of Science, Bangalore, India
Proteins 56:821-7. 2004..The present study, the first of its kind involving a glycosylated protein with a well-defined glycan and the corresponding deglycosylated form, provides insights into the structural aspects of protein glycosylation...
Structural basis of the carbohydrate specificities of jacalin: an X-ray and modeling studyA Arockia Jeyaprakash
Molecular Biophysics Unit, UGC Centre of Advanced Study, Indian Institute of Science, Bangalore 560 012, India
J Mol Biol 332:217-28. 2003..They also lead to fresh insights into the nature of the binding of glycoproteins by jacalin...
Calorimetric studies on the stability of the ribosome-inactivating protein abrin II: effects of pH and ligand bindingJ Krupakar
Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560 012, India
Biochem J 338:273-9. 1999..mol-1.K-1 for the B-subunit and 20+/-1 kJ.mol-1.K-1 for the A-subunit. These values have been used to calculate the thermal stability of abrin II and to surmise the mechanism of its transmembrane translocation...
Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanKSatyabrata Das
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560012, India
Acta Crystallogr D Biol Crystallogr 62:628-38. 2006..The strong correlation between structural plasticity, evolutionary conservation and variability and function exhibited by the molecule could be important in the design of species-specific inhibitors of the enzyme...
Crystal structures of artocarpin, a Moraceae lectin with mannose specificity, and its complex with methyl-alpha-D-mannose: implications to the generation of carbohydrate specificityJ V Pratap
Molecular Biophysics Unit, Indian Institute of Science, Bangalore, India
J Mol Biol 317:237-47. 2002....
Crystallographic identification of an ordered C-terminal domain and a second nucleotide-binding site in RecA: new insights into allosteryR Krishna
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
Nucleic Acids Res 34:2186-95. 2006....
Triclosan offers protection against blood stages of malaria by inhibiting enoyl-ACP reductase of Plasmodium falciparumN Surolia
Molecular Biology and Genetics Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore, India
Nat Med 7:167-73. 2001..falciparum. We establish the existence of the de novo fatty acid biosynthetic pathway in this parasite, and identify a key enzyme of this pathway for the development of new antimalarials...
Expression of winged bean basic agglutinin in Spodoptera frugiperda insect cell expression systemV R Srinivas
Molecular Biophysics Unit, Indian Institute of Science, Bangalore
Biosci Rep 21:361-7. 2001..Hence, a role for glycosylation in modulation of dimerization of WBA I is ruled out unlike Erythrina corallodendron (EcorL). Despite this the protein is active, with its sugar specificity unaltered...
Expression, purification, crystallization and preliminary X-ray crystallographic analysis of pantothenate kinase from Mycobacterium tuberculosisSatyabrata Das
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
Acta Crystallogr Sect F Struct Biol Cryst Commun 61:65-7. 2005..3, c = 115.45 A and a = b = 107.63, c = 89.85 A, respectively, were collected at room temperature on a home X-ray source. Structures of both crystal forms were solved for one subunit in the asymmetric unit by molecular replacement...
Purification, crystallization and preliminary X-ray structure analysis of the banana lectin from Musa paradisiacaD D Singh
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
Acta Crystallogr D Biol Crystallogr 60:2104-6. 2004..The trigonal crystals contain one dimeric molecule in the asymmetric unit. The structure has been solved using molecular replacement to a resolution of 3 A. The structure of the subunit is similar to that of jacalin-like lectins...
Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectinS Kundhavai Natchiar
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560012, India
Acta Crystallogr D Biol Crystallogr 62:1413-21. 2006..Water molecules involved in lectin-sugar interactions are also substantially conserved. The lectin molecule is fairly rigid and does not appear to be affected by changes in temperature...
The combination of molecular dynamics with crystallography for elucidating protein-ligand interactions: a case study involving peanut lectin complexes with T-antigen and lactoseJ V Pratap
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
Acta Crystallogr D Biol Crystallogr 57:1584-94. 2001....
Kinetic and thermodynamic analysis of the interactions of 23-residue peptides with endotoxinC J Thomas
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
J Biol Chem 276:35701-6. 2001..Peptides that improve these features further are expected to perform better as endotoxin-neutralizing agents...
Thermodynamic analysis of the binding of galactose and poly-N-acetyllactosamine derivatives to human galectin-3K Bachhawat-Sikder
Molecular Bioiphysics Unit, Indian Institute of Science, Bangalore 560012, India
FEBS Lett 500:75-9. 2001..Binding thermodynamics of galectin-3 with the galactose derivatives are essentially enthalpically driven and exhibit compensatory changes in DeltaH degrees and TDeltaS owing to solvent reorganization...
Unfolding thermodynamics of the tetrameric chaperone, SecBV G Panse
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
Biochemistry 39:2362-9. 2000..The thermodynamic data suggest that SecB is a stable, well-folded, and tightly packed tetramer and that substrate binding occurs at a surface site rather than at an interior cavity...
Computational analysis of multivalency in lectins: structures of garlic lectin-oligosaccharide complexes and their aggregatesGosu Ramachandraiah
Molecular Biophysics Unit, Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560012, India
Glycobiology 13:765-75. 2003..In addition to their immediate relevance to garlic lectin, these studies are of general interest in relation to lectin-oligosaccharide interactions...
Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme actionBhaskar Chetnani
Molecular Biophysics Unit, Indian Institute of Science, Bangalore
Acta Crystallogr D Biol Crystallogr 67:774-83. 2011..The present investigation also suggests that N-alkylpantothenamides could be phosphorylated by the enzyme in the same manner as pantothenate...
Primary structure of a Thomsen-Friedenreich-antigen-specific lectin, jacalin [Artocarpus integrifolia (jack fruit) agglutinin]. Evidence for the presence of an internal repeatS K Mahanta
Molecular Biophysics Unit, Indian Institute of Science, Bangalore
Biochem J 284:95-101. 1992..Analyses of the sequence showed the presence of an internal repeat spanning residues 7-64 and 76-130. The internal repeat was found to be statistically significant...
Mutational analysis at Asn-41 in peanut agglutinin. A residue critical for the binding of the tumor-associated Thomsen-Friedenreich antigenP Adhikari
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
J Biol Chem 276:40734-9. 2001..This study strengthens the theory that in lectins the nonprimary contacts generally made through water bridges are involved in imparting exquisite specificity...
Studies on the aggregation and possible channel formation in membranes of a cyclic hexapeptide, cyclo (D-Ala-L-Pro-L-Ala)2J Ramesh
Molecular Biophysics Unit, Indian Institute of Science, Bangalore, India
J Pept Res 61:63-70. 2003..Reduction of the phase transition temperature and the maximum heat capacity of the lipid bilayer (DPPC) for gel-to-liquid crystalline phase transition indicates a strong interaction of the peptide with the lipid bilayer...
Re-refinement using reprocessed data to improve the quality of the structure: a case study involving garlic lectinGosu Ramachandraiah
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560012, India
Acta Crystallogr D Biol Crystallogr 58:414-20. 2002..It could be established that the crystal asymmetric unit contains two identical heterodimers. The new refined structure also provided a better definition of other finer structural details...
Variability of calcium binding to EF-hand motifs probed by electrospray ionization mass spectrometryA K Moorthy
Molecular Biophysics Unit, Indian Institute of Science, Bangalore
J Am Soc Mass Spectrom 12:1296-301. 2001....
Insights into the substrate specificity of a thioesterase Rv0098 of mycobacterium tuberculosis through X-ray crystallographic and molecular dynamics studiesKoustav Maity
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
J Biomol Struct Dyn 29:973-83. 2012..A combination of crystallographic and molecular dynamics studies thus explained the structural basis of accommodating long chain substrates by Rv0098 of M. tuberculosis...
Exploiting lectin affinity chromatography in clinical diagnosisP R Satish
Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India
J Biochem Biophys Methods 49:625-40. 2001..in the diagnosis of certain pathological conditions, and the possibility of using this knowledge in designing treatments for various diseases, is discussed...
In vitro antimalarial activity of extracts of three plants used in the traditional medicine of IndiaG P Bhat
Molecular Biology and Genetics Unit, Jawaharlal Nehru Center for Advanced Scientific Research, Bangalore, Karnataka State, India
Am J Trop Med Hyg 65:304-8. 2001..Among the 3 plants tested, 2 had significant inhibitory effect on P. falciparum in vitro...
Plasmepsin inhibitors: design, synthesis, inhibitory studies and crystal structure analysisM M Kesavulu
Molecular Biophysics Unit, Indian Institute of Science, Bangalore, India
J Pept Res 66:211-9. 2005..In this paper, we discuss the synthesis, crystal structures and inhibitory nature of these two compounds which have a potential to inhibit plasmepsins...
Napin from Brassica juncea: thermodynamic and structural analysis of stabilityT C Jyothi
Department of Protein Chemistry and Technology, Central Food Technological Research Institute, Mysore 570020, India
Biochim Biophys Acta 1774:907-19. 2007..The internal repeats may contribute to the greater stability of napin. A thorough understanding of the structure and stability of these proteins is essential before they can be exploited for genetic improvements for nutrition...
