Publications & Projects

Year 2014

1.A. Yadav and A. Krishna, De novo design of dual TPR/TxS inhibitor through molecular modeling and docking studies, Can. J. Chem., in press, 2014.

2. A. Banerjee, A. Yadav, M. Sonker, D. Bhaskar, P.B. Patel, S. Sachan, Behavior of biosurfactant Iturin A at liquid-liquid interface, Asian J. Chem., 26(15), 2014.

3. A. Banerjee, P.B. Patel, S. Sachan, A. Yadav, Self assembling, stimuli responsive, surfactant-like Cyclic amphiphilic peptides, Interdiscip Sci. Comput. Life Sci., Special Issue, submitted, 2014.

Year 2013

1. D. Mandal, R.K. Tiwari, A.N. Shirazi, G. Ye, A. Banerjee, A. Yadav, K. Parang Efficient delivery of cell impermeable phosphopeptides by a cyclic peptide amphiphile containing Tryptophan and arginine, Mol. Pharmaceutics,. dx.doi.org/10.1021/mp400046u | Mol in press, 2013.

2. D. Mandal, R.K. Tiwari, A.N. Shirazi, G. Ye, A. Banerjee, A. Yadav, K. Parang, Self assembled surfactant cyclic peptide nanostructures as stabilizing agents, Soft Matter, DOI 10.1039/c0xx00000 in press, 2013.

Year 2012

1. M. Sonker and A. Yadav, Conformationally controlled mechanistic aspects of BACE 1 inhibitors CNS Agents Med. Chem., 2012, Vol No. 12 (1) page-1-10.

2. A. Banerjee and A. Yadav , Cyclic systems as drug carriers Appl. Nano Science, 2012, published online.

3. A. Krishna and A. Yadav, Lead Compound design for TPR/COX dual inhibition, J. Mol. Mod., 2012 , 4397-08, Vol 18(4).

4. B. P. Singh and Sandhya Singh, Chemical Investigation of Seed of Ipomoea Hederacea and its Biological Activity, J. Chem. Pharm. Res. 1441-1448 4(2) 2012.

5. Birendra Pratap Singh, Jai Prakash Singh, Shruti Shukla and Shanti Sharma, Synthesis and Characterization of Inorganic Polymer Nano-Composites Der Chemica Sinica, 2012, 3(2), 521-526.

6. B. P. Singh and Swati Sahu, Antimicrobial Activity and Spectral Characterization of Flower of Butea Monosperma, Res. J. Pharm. Biol. Chem. Sci.. 2012, 3(2), 598-606.

7. Birendra Pratap Singh, Synthesis, Spectral Characterization and Biological Activity of Schiff – Base Metal Complex International Journal of Pharmaceutical Research & Development, 2012, 4(3), 51-57

8. Interactions of Polyacrylamide with Cationic Surfactants; Thermodynamic and Surface Parameters. P.S. Niranjan, Ratna Shukla and Santosh K. Upadhyay Journal of Surfactants and Detergents(June 2012)

Year 2011

1. Alzheimer’s Disease Pathogenesis: Core concepts, shifting paradigms and therapeutic targets, Ed: Suzanne M. de la Monte, Chapter 28 In silico design of preventive drugs for Alzheimer’s Disease, A. Yadav and M. Sonker, pg 647, 2011. Book 2, ISBN 978-953-307-1457-2, In Tech Open Access Publishers, Rijeka, Croatia, 2011

2. Recent trends in computational biology and statistics applied in biotechnology and bioinformatics, Ed: A.K. Roy, Chapter 22 , Modern quantum mechanical methods applied to accurate in silico drug designing, A. Yadav, M. Sonker, A. Krishna, pg 497, 2011.

3.Green Polymer Synthesis: An Overview on Use of Microwave-Irradiation: Rashmi Dubey and Anuradha Mishra, Green chemistry for environment remediation, Edited by Rashmi Sanghi and Vandana Singh Copyright: 2011 ISBN: 9780470943083 | Hardcover |

4. A. Banerjee and A. Yadav*, In silico design of a peptidomimetic carrier for levodopa Intl. J. Biomed. Sci , 2011, 7, 44-50.

Year 2010

1. A. Banerjee and A. Yadav Cyclic peptidomimetic lead compounds to reduce neurotoxicity and associated oxidative stress in Alzheimers disease *, Intl. J. Biomed. Sci, 2010, 6(3), 216-224.

Year 2009

1.Micellar effect in redox- reaction: A review. Ratna Shukla and Santosh K. Upadhyay Current Focus on Colloids and Surfaces , Surfactant Science Series (2009); 345-389,ISBN: 978-81-7895-438-7, Editor:- Songjun Li

Year 2008

1. Inhibition effect of {Cationic surfactant-ascorbic acid} Premicellar aggregation on the rate of Hexacyanoferrate(III) Oxidation of ascorbic acid ; A Kinetic Study. Ratna Shukla and S.K.Upadhyay J. Dispersion Science Technology, 29(6)(2008)22.

2. Non-Ionic Miceller Inhibition on the Rate of oxidation of L- Histidine by alkaline Hexacyanoferrate(III). Ratna Shukla and S.K.Upadhyay- Indian J. Chem. 47A (2008)551-555.

3. Tween-80 micelles catalyzed oxidation of methionine and proline by alkaline hexacyanoferrate(III). Ratna Shukla and Santosh K. Upadhyay Colloids and Surfaces A: Physicochemical and Engineering Aspects, 331(2008) 245-249.

Year 2007

1. Inhibition Effect of {Surfactants-Substrate} Aggregation on the rate of Oxidation of Reducing Sugars by alkaline Hexacyanoferrate(III). Ratna Shukla and S.K.Upadhyay International J. Chemical Kinetics, 39(11)(2007) 595.

2. Inhibition effect of Brij-35 on the rate of Oxidation of Ascorbic acid by Hexacyanoferrate (III)in acidic medium: A Kinetic Study. Ratna Shukla and S.K.Upadhyay Indian J. Chem., 46A (2007) 1116.

Year 2006

1. 22. pH-Controlled Antiarrhythmic Action of Dihydropyridines Anamika Awasthi & Arpita Yadav*, Ind. J. Chem., 45A (1) (2006), 51-57

Year 2005

1.Common binding mode for structurally and chemically diverse non-nucleosidic HIV-1RT inhibitors A.Yadav* and S.K. Singh J. Mol. Struc. (THEOCHEM) 2005 723 205-209.

2. Pharmacophoric Features and Ca2+ ion Holding Capacity of Verapamil A.Awasthi and A. Yadav*, Bioorg. & Med. Chem. Lett., 2005, 15 5412-5415

Year 2004

1.Threshold Interaction Energy of NRTI’s (Nucleosidic Inhibitors for Reverse Transcriptase) to Undergo Competitive Inhibition Arpita Yadav,* and Sanjeev K. Singh Bioorg & Med. Chem. Lett. 2004, 14, 2677-2680.

2. Synthetic and Theoretical Approaches into the C- and D-Ring Problems of Sterol Biosynthesis. Hydride Shift vs Carbon-Carbon Bond Migration due to Cation Conformational Changes Controlled by the Counteranion Mugio Nishizawa*, Arpita Yadav,† Yoshihiro Iwamoto, Hiroshi Imagawa, Tetrahedron 2004 (in press).

3. “Use of polyacrylamide grafted plantago psyllium mucilage as flocculant for treatment of textile wastewater” Anuradha Mishra, Rashmi Dubey,Rajani srinivasan and Malvika Bajpai Colloid Polymer Science., 282,722-727(2004)



Year 2003

1.Pharmacophoric Features of Nucleosidic HIV-1RT Inhibitors A. Yadav* and S. K. Singh Bioorg & Med. Chem.. 2003, 11, 1801-1807.

2. The C- and D-Ring Problem of Sterol Biosynthesis: Hydride Shift Versus Carbon-Carbon Bond Migration due to Conformational Changes Controlled by Counteranion M. Nishizawa,* A. Yadav, H. Imagawa, T. Sugihara Tetrahedron Lett. 2003, 44(19), 3867-3870.

Year 2002

1. “Flocculation of Textile wastewater bypplantago psyllium mucilage ” Anuradha Mishra, Rashmi Dubey and Rajani srinivasan Macromol. Mater. Eng., 287,592 (2002)

2. “P. psyllium -g-Polyacrylamide: Synthesis and Characterization” Anuradha Mishra, Rashmi Dubey,Rajani srinivasan and Malvika Bajpai Polymer Bulletin,48,439-444(2002)

Year 2000

1. Synthesis and magnetic properties of one-dimensional metal oxalate networks as molecular-based magnets. B. P. Singh and B. Singh, Bull. Mat. Sci., 2000, 23,11-16.

Year 1999

1.Synthesis and magnetic properties of 3D-metal oxalate networks as molecular-based magnets. B. P. Singh, B. Singh, R. A. Singh and P. Delhaes, Indian J. Eng. Mat. Sci., 1999, 6, 100-106.

Year 1998

1.Magnetic Langmuir-Blodgett Films with Metal-Oxalato Complexes. M. Aiai, J. Ramos, C. Mingotaud, J. Amiell, P. Delhaes, A. Jaiswal, R. A. Singh, , B. P. Singh, B. Singh, Chem. Mat. (ACS), 1998, 10, 728-733.



Year 1997

1.The Antineoplastic Behaviour of Nitrosoureas: An ab initio Study A. Yadav* and V.K. Singh J. Mol. Struct. (Theochem) 1997, 389, 191.

2. An ab initio Study of Histamine Agonists A. Yadav* and V. K. Yadav Ind. J. Biochem. & Biophys. 1997, 34, 396-401.

3. The Directional Changes in Torsion Angles Alone After Complexation of the Carbonyl Oxygen with a Prototypical Cation such as H+ Predict the Facial Selectivity of Substituted Cyclohexanones. An ab initio Investigation D. A. Jeyaraj, A. Yadav and V. K. Yadav* Tetrahedron Letts. 1997, 38, 4483- 4486.

Year 1994

1. An ab initio Study of the Thermal Fragmentation of N-Acyloxypyridine-2-thiones: A [3,3] Sigmatropic Process Initiates the Radicalar Chain V. K. Yadav*, A. Yadav, P. Pande and K.K. Kapoor Ind. J. Chem. 1994, 33B, 1129.

2. Symmetry and Synthetic Chemistry V.K. Yadav*, A. Yadav and A. Sanyal J. Sci. & Indus. Res. 1994, 53, 778.

3. An ab initio Study of Anticonvulsants A. Yadav* and V.K. Yadav J. Mol. Struct. (Theochem) 1994, 315, 245-251 (Erratum: 1995, 337, 101)

Year 1991

1.Photoisomerization of Rhodopsin and Bacteriorhodopsin: An ab initio study A. Yadav and R.A. Poirier* J. Photochem. Photobiol. A: Chemistry 1991, 58, 191.

2. The role of solvent reorganization energies in the catalytic activity of enzymes A. Yadav, A. Warshel*, R. Jackson and J. J. Holbrook J. Am. Chem. Soc. 1991, 113, 4800.

3. Simulation of quantum mechanical corrections for rate constants of hydride transfer reactions in enzymes and solutions J.K. Hwang, Z.T. Chu, A. Yadav and A. Warshel* J. Phys. Chem. 1991, 95, 8445.

Year 1989

1. An ab initio study of the conformational change around the 6-s-bond in retinal, R.A. Poirier* and A. Yadav Chem. Phys. Lett. 1989, 156, 122.

2. Some periodic trends in organic compounds containing O, S, Se and Te: an ab initio study V.K. Yadav, A. Yadav and R.A. Poirier* J. Mol. Struct. (Theochem) 1989, 186, 101.

3. Confermation around the 12-s-bond in an analogue of retinal: An ab initio study A Yadav and R.A. Poirier* Chem. Phys. Lett 1989, 164, 68.

Year 1988

1. Energy, Geometry and Valence: The influence of sulfur d-orbital exponent A. Yadav, R.A. Poirier* and P.R. Surjan J. Mol. Struct. (Theochem) 1988, 165, 297.

2. A preliminary ab initio investigation of retinal analogs R.A. Poirier*, A. Yadav and P.R. Surjan J. Mol. Struct. (Theochem)1988,167, 321.

Year 1987

1. Effect of protonation on the ground state properties of retinal analogs: an ab initio study, R.A. Poirier*, A. Yadav and P.R. Surjan Can. J. Chem. 1987, 65, 892.




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