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   Protein Folding

   De novo Protein Design

 

PUBLICATIONS

 

PROF. DURANI's LAB

 

   Present

           Ranjit Ranbhor

          Soumendra Rana

          Anil Kumar

          Deepa Pednekar

          Kirti Patel

          Abhijit Tendulkar

          Sourav Das

 

   Alumni

 

 

     

 

 

Recent Publications

 

    Protein Design in L and D - Amino Acid Structures as the Alphabet. Durani, S. Accounts
    of Chemical Research (2008)
(In press)


 

    Electrostatics-defying interaction between arginine termini as a thermodynamic driving force
    in protein-protein interaction. Pednekar, D.; Tendulkar, A.; Durani, S. PROTEINS: Structure,
    Function and Bioinformatics (2008)
(In press)


 

    Analysis of Structural Consensus of the Zinc Coordination Centers of Metalloprotein Structures.
    Patel, K.; Kumar, A.; Durani, S. Biochimica et Biophysica Acta 1774, 1247 1253 (2007)


 

    A mixed- miniprotein stereochemically reprogrammed to high-binding affinity for acetylcholine.
    Rana, S.; Kundu, B.; Durani, S. Biopolymers 87, 4, 231-243 (2007)


 

    A double catgrip mixed and mini protein only 20 residues long. Rana, S.; Kundu, B.; Durani,S.
    Bioorg. Med. Chem. 15, 3874-3882 (2007)


 

    The interplay of sequence and stereochemistry in defining conformation in proteins and
    polypeptides. Ranbhor,R.; Ramakrishnan,V.; Kumar,A.; Durani, S. Biopolymers 83, 537-45
    (2006)


 

    The link between sequence and conformation in protein structures appears to be stereochemically
    established. Ramakrishnan, V.; Ranbhor, R.; Kumar, A.; Durani, S. Journal of Physical
    Chemistry B
110, 9314-9323, (2006)


 

    Computational design of proteins stereochemically optimized in size, stability and folding
    speed. Joshi, S.; Rana, S.; Wangikar, P.; Durani, S. Biopolymers 83,122-134 (2006)


 

     A Small Peptide Stereochemically Customized as a Globular Fold with a Molecular Cleft.
     Rana, S.; Kundu, B.; Durani, S. Chem. Comm., 207-209
(2005).

 

 

Simulated Folding of Polypeptides of Diversified Molecular Tacticity.  Implication for Protein
Folding and De novo Design.    Ramakrishnan, V.; Ranbhor, R.; Durani, S., Biopolymers, 78,
96-105 (2005).

 

 

Stereospecific Peptide Folds.  A Rationally Designed Molecular Bracelet.    Rana, S.; Kundu, B.; Durani, S. Chem. Comm., 2462-2463 (2004).

 

 

Existence of specific folds in Polyproline-II ensembles of an unfolded Alanine Peptide detected
by Molecular Dynamics.    Ramakrishnan, V.; Ranbhor, R.; Durani, S., Journal of American Chemical Society.  126,16332-333 (2004).  

 

 

Mechanism-based protein design: Attempted "nucleation-condensation" approach to a possible minimal helix-bundle protein.       Mohanraja, K.; Dhanasekaran, M.; Kundu, B.; Durani, S..    Department of Chemistry,  Indian Institute of Technology, Bombay,  Mumbai,  India.    Biopolymers,  70(3),  355-363, (2003).

 

 

Combined sequence and structure analysis of the fungal laccase family.      Kumar, S. V. Suresh; Phale, Prashant S.; Durani, S.; Wangikar, Pramod P. Biotechnology and Bioengineering,  83(4),  386-394, (2003).

 

 

Solution conformation of a rationally designed nonapeptide.      Dhanasekaran, M.; Srivastava, Sudha; Raju, E. B.; Durani, S. Physiological Chemistry and Physics and Medical NMR  ,  33(2),  163-174, (2001).

 

 

Conformational effects of C-dipropargylglycine as a constrained residue.   Damodharan, L.; Mohanraja, K.; Kotha, S.; Durani, S.; Pattabhi, V. Biopolymers 59(5),  330-338, (2001).

 

 

Modification of constrained peptides by ring-closing metathesis reaction.      Kotha, S.; Sreenivasachary, N.; Mohanraja, K.; Durani, S. Bioorganic & Medicinal Chemistry Letters    11(11),  1421-1423, (2001).

 

 

Conformational preferences of heterochiral peptides. Crystal structures of heterochiral peptides Boc-(D) Val-(D) Ala-Leu-Ala-OMe and Boc-Val-Ala-Leu-(D) Ala-OMe- enhanced stability of sheet through C-H...O hydrogen bonds.      Fabiola, G. Felcy; Bobde, Vivek; Damodharan, L.; Pattabhil, Vasantha; Durani, S. Journal of Biomolecular Structure & Dynamics ,  18(4),  579-594, (2001).

 

 

N-1 and N-2 positional effects in the propagation of 310-type fold in the helical model peptide Boc-(D)Glu-Pro-Ala-Lys-Ala-Leu-Ala-OMe.      Beri, S.; Srivastava, Sudha; Dhanasekaran, M.; Phadke, Ratna S.; Durani, S. Magnetic Resonance in Chemistry  38(4), 257-264, (2000).

 

 

A Rationally Designed Turn-Helix Peptide.      Dhanasekaran, M.; Fabiola, F.; Pattabhi, V.; Durani, S. Journal of the American Chemical Society  ,  121(23),  5575-5576, (1999).

 

Charge and solvation effects in anion recognition centers: an inquiry exploiting reactive arginines.     Jairajpuri M A; Azam N; Baburaj K; Bulliraju E; Durani S. Biochemistry,  37(30),  10780-91, (1998).

 

Reengineering a type II turn as a potential helix nucleator. Part I. Crystal structure of Boc-Val-Pro-(D)Asp-Asp-Val-OMe monohydrate.      Fabiola, G. Felcy; Pattabhi, Vasantha; Raju, E. B.; Durani, S.  Journal of Peptide Research , 50(5),  352-356, (1997)

 

 

Configurationally guided peptide conformational motifs: crystal structure of a L D L D D L  type hexapeptide fold.      Fabiola, F.; Pattabhi, V.; Rawale, S.; Raju, E. B.; Durani, S. Chemical Communications (Cambridge)   (15), 1379-1380, (1997).

 

 

Crystal structures of heterochiral peptides. Part II. tert-Boc-valyl-D-alanyl-leucyl-alanyl methoxide.      Nagarajan, V.; Pattabhi, Vasantha; Johnson, A.; Bobde, V.; Durani, S. Journal of Peptide Research  49(1),  74-79, (1997).

 

 

Crystal structure of a D-residue containing tetrapeptide. 1. tert-Boc-D-valyl-alanyl-leucyl-alanyl methoxide, butanol solvate.      Bobde, V.; Durani, S.; Pattabhi, Vasantha; Sadasivan, C.    Dep. Chem.,  Univ. Madras,  Madras,  India.    International Journal of Peptide & Protein Research    45(4),  332-6, (1995).

 

 

A single point chiral inversion that self organizes a random coil peptide. Apolar solvent conformation of Boc-(L/D)-Glu-Ala-Leu-LysNHMe.      Bobde, V.; Beri, S.; Rawale, S.; Satyanarayana, C. V. V.; Durani, S..    Biotechnol. Cent.,  Indian Inst. Technol.,  Bombay,  India.    Tetrahedron  51(10),  3077-86, (1995).

 

Harnessing D-amino acids for peptide motif designs. Synthesis and solution conformation of Boc-D-Glu-Ala-Gly-Lys-NHMe and Boc-L-Glu-Ala-Gly-Lys-NHMe.     Bobde V; Sasidhar Y U; Durani S International journal of peptide and protein research    43(3),  209-18, (1994).

 

 

HOCGO and DMACGO. Two coumarin derived alpha-dicarbonyls suitable as pH and polarity sensitive fluorescent reporters for proteins that can be targeted at reactive arginines.     Baburaj K; Azam N; Udgaonkar D; Durani S. Biochimica et biophysica acta  1199(3),  253-65, (1994).

 

 

Metastable ion decomposition and collisional activation mass spectra of 1,2,3-triarylpropen-1-ones.      Madhusudanan, K. P.; Durani, S.; Reddy, D. M.; Kapil, R. S.; Itagaki, Y.; Nojima, K.  Organic Mass Spectrometry  26(4),  298-304, (1991).

 

Exploring borate-activated electron-rich glyoxals as the arginine-reactivity probes. The reactivities of functionally critical arginines in some representative enzymes.     Baburaj K; Saeed A; Azam N; Durani S  Biochimica et biophysica acta    1078(2),  258-64., (1991).

 

Structure-activity relationship of antiestrogens. Phenolic analogues of 2,3-diaryl-2H-1-benzopyrans.     Sharma A P; Saeed A; Durani S; Kapil R S    Medicinal Chemistry Division, Central Drug Research Institute, Lucknow, India      Journal of medicinal chemistry   33(12),  3222-9, (1990).

 

 

Structure-activity relationship of antiestrogens. Effect of the side chain and its position on the activity of 2,3-diaryl-2H-1-benzopyrans.     Sharma A P; Saeed A; Durani S; Kapil R S   Journal of medicinal chemistry ,  33(12),  3216-22, (1990).

 

 

Structure-activity relationship of antiestrogens. Studies on 2,3-diaryl-1-benzopyrans.     Saeed A; Sharma A P; Durani N; Jain R; Durani S; Kapil R S.  Journal of medicinal chemistry 33(12),  3210-6, (1990).

 

 

Occurrence of bends in bradykinin dissolved in DMSO-d6.      Mirmira, Suman R.; Durani, S.; Srivastava, Sudha; Phadke, Ratna S.  Magnetic Resonance in Chemistry  28(7),  587-93, (1990)

 

 

Collisional activation spectra of the adduct ions of 1,2,3-triarylpropenones under ammonia chemical ionization conditions.      Madhusudanan, K. P.; Durani, S.; Kapil, R. S.; Fraisse, D. Organic Mass Spectrometry    25(5),  265-70, (1990).

 

 

Structure-activity relationship of antiestrogens: a study using triarylbutenone, benzofuran, and triarylfuran analogues as models for triarylethylenes and triarylpropenones.     Durani N; Jain R; Saeed A; Dikshit D K; Durani S; Kapil R S. Journal of medicinal chemistry  32(8),  1700-7, (1989).

 

 

Reduction reaction in triarylpropenones under chemical ionization conditions.      Madhusudanan, K. P.; Jain, Raka; Durani, S.; Kapil, R. S.    Cent. Drug Res. Inst.,  Lucknow,  India.    Indian Journal of Chemistry, Section B:  Organic Chemistry Including Medicinal Chemistry  28B(12),  1082-4, (1989).

 

 

Structure-activity relationship of estrogens: receptor affinity and estrogen antagonist activity of certain (E)- and (Z)-1,2,3-triaryl-2-propen-1-ones.     Mittal S; Durani S; Kapil R S    Journal of medicinal chemistry  28(4),  492-7, (1985).

 

 

Fragmentation and rearrangement reactions in certain 1,2,3-triaryl-2-propen-1-ones following electron impact and chemical ionization.      Madhusudanan, K. P.; Mittal, Shubhra; Durani, S.; Kapil, R. S. Oganic Mass Spectrometry  20(3),  215-22, (1985).

 

Cis isomer of centchroman--a selective ligand for the microsomal antiestrogen binding site.     Saeed A; Durani N; Durani S; Ray S; Kapil R S    Biochemical and biophysical research communications,  125(1),  346-52, (1984).

 

 

Antifertility agents.  38.  Effect of the side chain and its position on the activity of 3,4-diarylchromans.      Salman, M.; Ray, Suprabhat; Agarwal, A. K.; Durani, S.; Setty, B. S.; Kamboj, V. P.; Anand, N.  Journal of Medicinal Chemistry   26(4),  592-5, (1983).

 

 

Structure-activity relationship of estrogens: a study involving cyclofenil as the model compound.      Garg, Shubhra; Bindal, R. D.; Durani, S.; Kapil, R. S. Journal of Steroid Biochemistry   18(1),  89-95, (1983).

 

 

Utility of 4-trimethylsiloxyphenylmagnesium bromide in Grignard reactions.  Bindal, Rajeshwar D.; Durani, S.; Kapil, Randhir S.; Anand, Nitya. Synthesis  (5), 405-7, (1982).

 

 

A possible basis for structure-function relationship of estrogens.      Durani, S.; Anand, Nitya.    Cent. Drug Res. Inst.,  Lucknow,  India.    International Journal of Quantum Chemistry   20(1),  71-83, (1981).

 

 

An improved procedure for isolation of rat fetoprotein.      Ali, Masarrat; Balapure, Anil K.; Durani, S.; Sahib, Maharaj K.    Div. Biochem.,  Cent. Drug Res. Inst.,  Lucknow,  India.    Indian Journal of Biochemistry & Biophysics  ,  18(2),  105-9, (1981).

 

 

Studies in antifertility agents.  Part XVIII.  2 ,6 -Diethyl-3-(p-hydroxyphenyl)-trans-bicyclo[4.3.0]nonan-7 -ol and 6 -methyl-3-(p-hydroxyphenyl)-2 - propyl-trans-bicyclo[4.3.0]nonan-7 -ol.      Gupta, R. C.; Durani, S.; Agarwal, A. K.; Kamboj, V. P.; Anand, Nitya.  Organic Chemistry Including Medicinal Chemistry,  19B(10),  886-90, (1980).

 

 

 

Seco-estradiols and some non-steroidal estrogens:  structural correlates of estrogenic action.      Durani, S.; Agarwal, A. K.; Saxena, R.; Setty, B. S.; Gupta, R. C.; Kole, P. L.; Ray, S.; Anand, Nitya.  Journal of Steroid Biochemistry ,  11(1A),  67-77, (1979).

 

 

6,11-Dimethoxycarbonyl-5,6,7,8,9,10,11,12-octahydrobenzocyclodecene.  Convenient synthesis of disubstituted cycloalkanes.      Durani, S.; Kapil, R. S.; Anand, Nitya.  Indian Journal of Chemistry   13(9),  946-7, (1975).

 

Structure-activity relationship of estrogens: a study involving cyclofenyl as the model compound.     Garg S; Bindal R D; Durani S; Kapil R S    Journal of steroid biochemistry ,  18(1),  89-95, (1983).

 

Antifertility agents. 38. Effect of the side chain and its position on the activity of 3,4-diarylchromans.     Salman M; Ray S; Agarwal A K; Durani S; Setty B S; Kamboj V P; Anand N    Journal of medicinal chemistry  ,  26(4),  592-5, (1983)

 

 

Dose dependent modulation of receptor dynamics and uterine growth in immature rat by estradiol: importance of an additional nuclear binding at 24 hr for long-term (72 hr) uterine growth. Agarwal A K; Durani S; Setty B S    Endokrinologie ,  79(2),  235-41, (1982).

 

 

 

An improved procedure for isolation of rat alpha-fetoprotein.     Ali M; Balapure A K; Durani S; Sahib M K    Indian journal of biochemistry & biophysics  18(2),  105-9, (1981).

 

 

Seco-oestradiols and some non-steroidal oestrogens: structural correlates of oestrogenic action. Durani S; Agarwal A K; Saxena R; Setty B S; Gupta R C; Kole P L; Ray S; Anand N    Journal of steroid biochemistry    11(1A),  67-77, (1979).