Dr. Anil Kumar Saxena

Research Scientist
Central Drug Research Institute, Pakistan

Highest Degree
Ph.D. in Medicinal Chemistry from U.R.H. Inter College Kashipur, India

My URL
https://livedna.org/91.10381

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Biography

Dr. Anil Kumar Saxena is currently working as Emeritus Scientist at Central Drug Research Institute. He has completed his Ph.D. in Medicinal Chemistry from U.R.H. Inter College Kashipur, India. His main area of interest focuses on Biomedical Sciences, Medicinal Chemistry, Heterocyclic Chemistry, QSAR (2d and 3d), Pharmacophore, Organic Synthesis, Docking, Molecular Modeling, and Drug Design. He has published 190 research articles in journals as well as 19 review/articles in books/monographs and 70 national and international patents granted/filed contributed as author/co-author.

Area of Interest:

Biomedical Sciences
Docking
Medicinal Chemistry
Organic Synthesis
Drug Design

Selected Publications

  1. Singh, S., K.K. Roy, S.R. Khan, V.K. Kashyap and A. Sharma et al., 2015. Novel, potent, orally bioavailable and selective mycobacterial ATP synthase inhibitors that demonstrated activity against both replicating and non-replicating M. tuberculosis. Bioorg. Med. Chem., 23: 742-752.
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  2. Pitta, E., E. Tsolaki, A. Geronikaki, J. Petrovic and J. Glamoclija et al., 2015. 4-Thiazolidinone derivatives as potent antimicrobial agents: Microwave-assisted synthesis, biological evaluation and docking studies. MedChemComm, 6: 319-326.
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  3. Gupta, A.K. and A.K. Saxena, 2015. Molecular modelling based target identification for endo-peroxides class of antimalarials. Combinatorial Chem. High Throughput Screening, 18: 199-207.
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  4. Azad, C.S., S.S. Bhunia, A. Krishna, P.K. Shukla and A.K. Saxena, 2015. Novel glycoconjugate of 8-fluoro norfloxacin derivatives as gentamicin‐resistant Staphylococcus aureus inhibitors: Synthesis and molecular modelling studies. Chem. Biol. Drug Des., (In Press). 10.1111/cbdd.12503.
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  5. Azad, C.S. and A.K. Saxena, 2015. Stereoconvergent synthesis of 1-deoxynojirimycin isomers by using the 3 component 4 centred Ugi reaction. Org. Chem. Front., 2: 665-669.
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  6. Varshney, S., K. Shankar, M. Beg, V.M. Balaramnavar and S.K. Mishra et al., 2014. Rohitukine inhibits in vitro adipogenesis arresting mitotic clonal expansion and improves dyslipidemia in vivo. J. Lipid Res., 55: 1019-1032.
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  7. Saxena, A.K., J. Devillers, A.R.R. Pery, R. Beaudouin, V.M. Balaramnavar and S. Ahmed, 2014. Modelling the binding affinity of steroids to zebrafish sex hormone-binding globulin. SAR QSAR Environ. Res., 25: 407-421.
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  8. Patel, G.K., A.K. Gupta, A. Gupta, M. Mishra, P.K. Singh, A.K. Saxena and A.K. Sharma, 2014. Purification and physicochemical characterization of a trypsin inhibitor from Cassia absus Linn. Protein Peptide Lett., 21: 108-114.
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  9. Mishra, S.K., S. Tiwari, S. Shrivastava, R. Sonkar and V. Mishra et al., 2014. Pharmacological evaluation of the efficacy of Dysoxylum binectariferum stem bark and its active constituent rohitukine in regulation of dyslipidemia in rats. J. Nat. Med., (In Press). 10.1007/s11418-014-0830-3.
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  10. Mishra, S.K., S. Tiwari, A. Shrivastava, S. Srivastava and G.K. Boudh et al., 2014. Antidyslipidemic effect and antioxidant activity of anthraquinone derivatives from Rheum emodi rhizomes in dyslipidemic rats. J. Nat. Med., 68: 363-371.
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  11. Hussain, M.K., M.I. Ansari, N. Yadav, P.K. Gupta and A.K. Gupta et al., 2014. Design and synthesis of ERα/ERβ selective coumarin and chromene derivatives as potential anti-breast cancer and anti-osteoporotic agents. RSC Adv., 4: 8828-8845.
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  12. Dighe, S.U., V.D. Yadav, R. Srivastava, A. Mishra and S. Gautam et al., 2014. Reinvestigations into synthesis of allyldithiocarbamates and their intramolecular cyclization: Synthesis and antihyperglycemic activity of 2-thioxothiazolidine-4-alkanoates. Tetrahedron, 70: 6841-6850.
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  13. Chhonker, Y.S., H. Chandasana, D. Kumar, S.K. Mishra and S. Srivastava et al., 2014. Pharmacokinetic and metabolism studies of rohitukine in rats by high performance liquid-chromatography with tandem mass spectrometry. Fitoterapia, 97: 34-42.
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  14. Balaramnavar, V.M., R. Srivastava, N. Rahuja, S. Gupta and A.K. Rawat et al., 2014. Identification of novel PTP1B inhibitors by pharmacophore based virtual screening, scaffold hopping and docking. Eur. J. Med. Chem., 87: 578-594.
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  15. Srivastava, S., R. Sonkar, S.K. Mishra, A. Tiwari and V. Balramnavar et al., 2013. Antidyslipidemic and antioxidant effects of novel Lupeol-derived chalcones. Lipids, 48: 1017-1027.
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  16. Sharma, S., I.A. Khan and A.K. Saxena, 2013. Room temperature palladium‐catalyzed decarboxylative acyl/aroylation using [Fe (III)(EDTA)(η2‐O2)]3- as oxidant at biological pH. Adv. Synth. Catal., 355: 673-678.
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  17. Saxena, A.K., K.K. Roy, S. Singh, S.P. Vishnoi and A. Kumar et al., 2013. Identification and characterisation of small-molecule inhibitors of Rv3097c-encoded lipase (LipY) of Mycobacterium tuberculosis that selectively inhibit growth of bacilli in hypoxia. Int. J. Antimicrob. Agents, 42: 27-35.
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  18. Saxena, A., V.M. Balaramnavar, T. Hohlfeld and A.K. Saxena, 2013. Drug/drug interaction of common NSAIDs with antiplatelet effect of aspirin in human platelets. Eur. J. Pharmacol., 721: 215-224.
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  19. Saxena, A., G.K. Jain, H.H. Siddiqui, S.S. Bhunia, A.K. Saxena and J.R. Gayen, 2013. In vitro metabolism of a novel antithrombotic compound, S002-333 and its enantiomers: Quantitative cytochrome P450 phenotyping, metabolic profiling and enzyme kinetic studies. Xenobiotica, 44: 295-308.
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  20. Ochieng, C.O., A. Srivastava, U. Chaturvedi, R. Sonkar and A.K. Khanna et al., 2013. Effects of Senna didymobotrya root extract and compounds on tritoninduced hyperlipidaemic rats and differentiation of 3T3-Li preadipocytes. Nat. Prod. J., 3: 212-217.
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  21. Kumar, S., A.P. Dwivedi, V.K. Kashyap, A.K. Saxena, A.K. Dwivedi, R. Srivastava and D.P. Sahu, 2013. Synthesis and biological evaluation of trans 6-methoxy-1,1-dimethyl-2-phenyl-3-aryl-2,3-dihydro-1H-inden-4-yloxyalkylamine derivatives against drug susceptible, non-replicating M. tuberculosis H37Rv and clinical multidrug resistant strains. Bioorg. Med. Chem. Lett., 23: 2404-2407.
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  22. Khan, S.R., S. Singh, K.K. Roy, M.S. Akhtar, A.K. Saxena and M.Y. Krishnan, 2013. Biological evaluation of novel substituted chloroquinolines targeting mycobacterial ATP synthase. Int. J. Antimicrob. Agents, 41: 41-46.
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  23. Khan, I.A. and A.K. Saxena, 2013. Metal-free, mild, nonepimerizing, chemo- and enantio- or diastereoselective N-alkylation of amines by alcohols via oxidation/imine-iminium formation/reductive amination: A pragmatic synthesis of octahydropyrazinopyridoindoles and higher ring analogues. J. Org. Chem., 78: 11656-11669.
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  24. Khan, I.A. and A.K. Saxena, 2013. (R/S)-BINOL-α-phosphoryloxy enecarbamate-mediated and (R/S)-Titanium(IV) BINOLates-catalyzed enantioselective intramolecular heck/aza-diels-alder cycloaddition (IHADA): An expedient methodology. Adv. Synth. Catal., 355: 2617-2626.
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  25. Gupta, S., K. Varshney, R. Srivastava, N. Rahuja, A.K. Rawat, A.K. Srivastava and A.K. Saxena, 2013. Identification of novel urea derivatives as PTP1B inhibitors: Synthesis, biological evaluation and structure-activity relationships. MedChemComm, 4: 1382-1387.
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  26. Gupta, A.K., K. Varshney, N. Singh, V. Mishra, M. Saxena, G. Palit and A.K. Saxena, 2013. Identification of novel amino acid derived CCK-2R antagonists as potential antiulcer agent: Homology modeling, design, synthesis and pharmacology. J. Chem. Inform. Model., 53: 176-187.
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  27. Gupta, A.K. and A.K. Saxena, 2013. Triple-layered QSAR studies on substituted 1,2,4-trioxanes as potential antimalarial agents: Superiority of the quantitative pharmacophore-based alignment over common substructure-based alignment. SAR QSAR Environ. Res., 24: 119-134.
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  28. Azad, C.S. and A.K. Saxena, 2013. One pot conversion of carbohydrates alcohol into chloride via benzotriazole sulfonate. Tetrahedron, 69: 2608-2612.
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  29. Varshney, K., S. Gupta, N. Rahuja, A.K. Rawat and N. Singh et al., 2012. Synthesis, structure-activity relationship and docking studies of substituted aryl thiazolyl phenylsulfonamides as potential protein tyrosine phosphatase 1B inhibitors. ChemMedChem, 7: 1185-1190.
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  30. Saxena, M., S.S. Bhunia and A.K. Saxena, 2012. Docking studies of novel pyrazinopyridoindoles class of antihistamines with the homology modelled H1-receptor. SAR QSAR Environ. Res., 23: 311-325.
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  31. Saxena, A.K. and K.K. Roy, 2012. Hierarchical virtual screening: Identification of potential high-affinity and selective β3-adrenergic receptor agonists. SAR QSAR Environ. Res., 23: 389-407.
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  32. Roy, K.K., S. Tota, T. Tripathi, S. Chander, C. Nath and A.K. Saxena, 2012. Lead optimization studies towards the discovery of novel carbamates as potent AChE inhibitors for the potential treatment of Alzheimer's disease. Bioorg. Med. Chem., 20: 6313-6320.
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  33. Khare, P., A.K. Gupta, P.K. Gajula, K.Y. Sunkari and A.K. Jaiswal et al., 2012. Identification of novel S-adenosyl-L-homocysteine hydrolase inhibitors through homology-model-based virtual screening, synthesis and biological evaluation. J. Chem. Inform. Model., 52: 777-791.
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  34. Khan, I.A., V.M. Balaramnavar and A.K. Saxena, 2012. Identification and optimization of novel pyrimido-isoxazolidine and oxazine as selective hydride donors. Tetrahedron, 68: 10122-10129.
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  35. Khan, I.A. and A.K. Saxena, 2012. Parikh-Doering oxidation-dehydration-Ugi cyclization cascade in the development of lactams from formidoalkanols (3>chain length>7). Tetrahedron, 68: 294-299.
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  36. Khan, I.A. and A.K. Saxena, 2012. Employing lactams for the unprecedented enantiopure synthesis of non-natural amino acid derivatives. Tetrahedron, 68: 1272-1279.
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  37. Gupta, A.K., K. Varshney and A.K. Saxena, 2012. Toward the identification of a reliable 3D QSAR pharmacophore model for the CCK2 receptor antagonism. J. Chem. Inform. Model., 52: 1376-1390.
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  38. Eleftheriou, P., A. Geronikaki, D.H. Litina, P. Vicini and O. Filz et al., 2012. Fragment-based design, docking, synthesis, biological evaluation and structure-activity relationships of 2-benzo/benzisothiazolimino-5-aryliden-4-thiazolidinones as cycloxygenase/lipoxygenase inhibitors. Eur. J. Med. Chem., 47: 111-124.
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  39. Balaramnavar, V.M., I.A. Khan, J.A. Siddiqui, M.P. Khan and B. Chakravarti et al., 2012. Identification of novel 2-((1-(benzyl(2-hydroxy-2-phenylethyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamoyl)benzoic acid analogues as BMP-2 stimulators. J. Med. Chem., 55: 8248-8259.
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  40. Sharma, S., A.K. Pandey, P.K. Shukla and A.K. Saxena, 2011. Synthesis and 2D QSAR of O-sulphonated β-aminols derivatives as novel antifungal and antibacterial agents. Bioorg. Med. Chem. Lett., 21: 6476-6481.
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  41. Roy, K.K., S.S. Bhunia and A.K. Saxena, 2011. CoMFA, CoMSIA and docking studies on thiolactone-class of potent anti-malarials: Identification of essential structural features modulating anti‐malarial activity. Chem. Biol. Drug Des., 78: 483-493.
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  42. Roy, K.K., S. Singh, S.K. Sharma, R. Srivastava, V. Chaturvedi and A.K. Saxena, 2011. Synthesis and biological evaluation of substituted 4-arylthiazol-2-amino derivatives as potent growth inhibitors of replicating Mycobacterium tuberculosis H37RV. Bioorg. Med. Chem. Lett., 21: 5589-5593.
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  43. Roy, K.K., S. Singh and A.K. Saxena, 2011. Integration-mediated prediction enrichment of quantitative model for Hsp90 inhibitors as anti-cancer agents: 3D-QSAR study. Mol. Divers., 15: 477-489.
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  44. Roy, K.K. and A.K. Saxena, 2011. Structural basis for the β-adrenergic receptor subtype selectivity of the representative agonists and antagonists. J. Chem. Inform. Model., 51: 1405-1422.
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  45. Gupta, A.K., S.S. Bhunia, V.M. Balaramnavar and A.K. Saxena, 2011. Pharmacophore modelling, molecular docking and virtual screening for EGFR (HER 1) tyrosine kinase inhibitors. SAR QSAR Environ. Res., 22: 239-263.
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  46. Gupta, A.K. and A.K. Saxena, 2011. 3D-QSAR CoMFA and CoMSIA studies on a set of diverse α1a-adrenergic receptor antagonists. Med. Chem. Res., 20: 1455-1464.
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  47. Geronikaki, A.A., N. Bennamane, B. Nedjar-Kolli, P.T. Eleftheriou and R. Kaoua et al., 2011. N-substituted [phenyl-pyrazolo]-oxazin-2-thiones as COX-LOX inhibitors: Influence of the replacement of the oxo-group with thioxo-group on the COX inhibition activity of N-substituted pyrazolo-oxazin-2-ones. Arkivoc, 2: 69-82.
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  48. Bhunia, S.S., K.K. Roy and A.K. Saxena, 2011. Profiling the structural determinants for the selectivity of representative factor-Xa and thrombin inhibitors using combined ligand-based and structure-based approaches. J. Chem. Inform. Model., 51: 1966-1985.
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  49. Bhatta, R.S., Y.S. Chhonker, D. Kumar, A.K. Saxena and G.K. Jain, 2011. Bioanalytical method development and validation for simultaneous estimation of (R)- and (S)-isomers of S002-333: A potent novel anti-thrombotic agent using LC-MS/MS. Med. Chem. Res., 20: 1581-1588.
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  50. Singh, S., P.K. Mandal, N. Singh, A.K. Misra and S. Singh et al., 2010. Substituted hydrazinecarbothioamide as potent antitubercular agents: Synthesis and Quantitative Structure-Activity Relationship (QSAR). Bioorg. Med. Chem. Lett., 20: 2597-2600.
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  51. Saxena, S., S.S. Chaudhaery, K. Varshney and A.K. Saxena, 2010. Pharmacophore-based virtual screening and docking studies on Hsp90 inhibitors. SAR QSAR Environ. Res., 21: 445-462.
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  52. Saxena, A.K., S. Saxena and S.S. Chaudhaery, 2010. Molecular modelling and docking studies on heat shock protein 90 (Hsp90) inhibitors. SAR QSAR Environ. Res., 21: 1-20.
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  53. Misra, P., K.V. Sashidhara, S.P. Singh, A. Kumar and R. Gupta et al., 2010. 16α‐hydroxycleroda‐3,13 (14)Z‐dien‐15,16‐olide from Polyalthia longifolia: A safe and orally active antileishmanial agent. Br. J. Pharmacol., 159: 1143-1150.
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  54. Gupta, S., G. Pandey, N. Rahuja, A.K. Srivastava and A.K. Saxena, 2010. Design, synthesis and docking studies on phenoxy-3-piperazin-1-yl-propan-2-ol derivatives as protein tyrosine phosphatase 1B inhibitors. Bioorg. Med. Chem. Lett., 20: 5732-5734.
    CrossRef  |  Direct Link  |  

  55. Gupta, A.K., S. Chakroborty, K. Srivastava, S.K. Puri and A.K. Saxena, 2010. Pharmacophore modeling of substituted 1,2,4-trioxanes for quantitative prediction of their antimalarial activity. J. Chem. Inform. Model., 50: 1510-1520.
    CrossRef  |  Direct Link  |  

  56. Chaudhaery, S.S., K.K. Roy, N. Shakya, G. Saxena and S.R. Sammi et al., 2010. Novel carbamates as orally active acetylcholinesterase inhibitors found to improve scopolamine-induced cognition impairment: Pharmacophore-based virtual screening, synthesis and pharmacology. J. Med. Chem., 53: 6490-6505.
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  57. Shakya, N., K.K. Roy and A.K. Saxena, 2009. Substituted 1,2,3,4-tetrahydroquinolin-6-yloxypropanes as β3-adrenergic receptor agonists: Design, synthesis, biological evaluation and pharmacophore modeling. Bioorg. Med. Chem., 17: 830-847.
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  58. Saxena, A.K., G. Pandey, S. Gupta, A.B. Singh and A.K. Srivastava, 2009. Synthesis of protein tyrosine phosphatase 1B inhibitors: Model validation and docking studies. Bioorg. Med. Chem. Lett., 19: 2320-2323.
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  59. Chaudhaery, S.S., K.K. Roy and A.K. Saxena, 2009. Consensus superiority of the pharmacophore-based alignment, over Maximum Common Substructure (MCS): 3D-QSAR studies on carbamates as acetylcholinesterase inhibitors. J. Chem. Inform. Model., 49: 1590-1601.
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  60. Tripathi, T. and A.K. Saxena, 2008. 2D-QSAR studies on new stilbene derivatives of resveratrol as a new selective aryl hydrocarbon receptor. Med. Chem. Res., 17: 212-218.
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  61. Singh, S. and A.K. Saxena, 2008. 2D-QSAR of purine-scaffold novel class of Hsp90 binders that inhibit the proliferation of cancer cells. Med. Chem. Res., 17: 290-296.
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  62. Saxena, A.K., I. Alam, A. Dixit and M. Saxena, 2008. Internet resources in GPCR modelling. SAR QSAR Environ. Res., 19: 11-25.
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  63. Roy, K.K., A. Dixit and A.K. Saxena, 2008. An investigation of structurally diverse carbamates for acetylcholinesterase (AChE) inhibition using 3D-QSAR analysis. J. Mol. Graph. Modell., 27: 197-208.
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  64. Misra, P., T. Khaliq, A. Dixit, S. SenGupta and M. Samant et al., 2008. Antileishmanial activity mediated by apoptosis and structure-based target study of peganine hydrochloride dihydrate: An approach for rational drug design. J. Antimicrob. Chemother., 62: 998-1002.
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  65. Geronikaki, A.A., A.A. Lagunin, D.I. Hadjipavlou-Litina, P.T. Eleftheriou and D.A. Filimonov et al., 2008. Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition. J. Med. Chem., 51: 1601-1609.
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  66. Geronikaki, A., P. Eleftheriou, P. Vicini, I. Alam, A. Dixit and A.K. Saxena, 2008. 2-Thiazolylimino/heteroarylimino-5-arylidene-4-thiazolidinones as new agents with SHP-2 inhibitory action. J. Med. Chem., 51: 5221-5228.
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  67. Dixit, A. and A.K. Saxena, 2008. QSAR analysis of PPAR-γ agonists as anti-diabetic agents. Eur. J. Med. Chem., 43: 73-80.
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  68. Desai, N.C., A.M. Bhavsar, M.D. Shah and A.K. Saxena, 2008. Synthesis and QSAR studies of thiosemicarbazides, 1,2,4-triazoles, 1,3,4-thiadiazoles and 1,3,4-oxadiazoles derivatives as potential antibacterial agents. Indian J. Chem., 47B: 579-589.
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  69. Sharma, P., S. Singh, T.I. Siddiqui, V.S. Singh and B. Kundu et al., 2007. α-Amino acid derivatives as proton pump inhibitors and potent anti-ulcer agents. Eur. J. Med. Chem., 42: 386-393.
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  70. Saxena, A.K., J. Rao, R. Chakrabarty, M. Saxena and R.C. Srimal, 2007. Synthesis and QSAR studies on hypotensive 1-[3-(4-substituted phenylthio) propyl]-4-(substituted phenyl) piperazines. Bioorg. Med. Chem. Lett., 17: 1708-1712.
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  71. Prathipati, P., A. Dixit and A.K. Saxena, 2007. Computer-aided drug design: Integration of structure-based and ligand-based approaches in drug design. Curr. Comput.-Aided Drug Des., 3: 133-148.
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  72. Chakrabarty, R., J. Rao, A. Anand, A.D. Roy and R. Roy et al., 2007. Rational design, synthesis and evaluation of (6aR∗,11bS∗)-1-(4-fluorophenyl)-4-{7-[4-(4-fluorophenyl)-4-oxobutyl]1,2,3,4,6,6a,7,11b,12,12a(RS)-decahydropyrazino[2',1':6,1]pyrido[3,4-b]indol-2-yl}-butan-1-one as a potential neuroleptic agent. Bioorg. Med. Chem., 15: 7361-7367.
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  73. Anand, A., A.D. Roy, R. Chakrabarty, A.K. Saxena and R. Roy, 2007. Investigation of the barrier to the rotation of carbamate and amide C-N bonds in antidepressant (6aR∗,11bS∗)-7-[carbobenzyloxy-l-alanyl]-2-[(4-methylphenyl)sulfonyl]-1,2,3,4,6,6a,7,11b,2,12a(S)-decahydropyrazino[2',1':6,1]pyrido[3,4-b]indole by dynamic NMR and molecular mechanics. Tetrahedron, 63: 5236-5243.
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  74. Saxena, M., S. Gaur, P. Prathipati and A.K. Saxena, 2006. Synthesis of some substituted pyrazinopyridoindoles and 3D QSAR studies along with related compounds: Piperazines, piperidines, pyrazinoisoquinolines and diphenhydramine and its semi-rigid analogs as antihistamines (H1). Bioorg. Med. Chem., 14: 8249-8258.
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  75. Saxena, A.K. and P. Prathipati, 2006. Collection and preparation of molecular databases for virtual screening. SAR QSAR Environ. Res., 17: 371-392.
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  76. Saxena, A.K. and K.J. Schaper, 2006. QSAR analysis of the time- and dose-dependent anti-inflammatory in vivo activity of substituted imidazo[1,2-a]pyridines using artificial neural networks. QSAR Combinatorial Sci., 25: 590-597.
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  77. Prathipati, P. and A.K. Saxena, 2006. Evaluation of binary QSAR models derived from LUDI and MOE scoring functions for structure based virtual screening. J. Chem. Inform. Model., 46: 39-51.
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  78. Pandey, G. and A.K. Saxena, 2006. 3D QSAR studies on protein tyrosine phosphatase 1B inhibitors: Comparison of the quality and predictivity among 3D QSAR models obtained from different conformer-based alignments. J. Chem. Inform. Model., 46: 2579-2590.
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  79. Lakshmi, M., A. Dixit and A.K. Saxena, 2006. QSAR studies on cis-hexa and tetra-hydrophthalazinones: A new dass of selective PDE-4 inhibitors. Indian J. Chem., 45A: 34-44.
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  80. Rao, J., R. Chakrabarty, R. Roy, A. Mishra and A.K. Saxena, 2005. A convenient stereospecific synthesis of substituted 1,2,3,4,6,6a,-7,11b,12,12a-decahydropyrazino[1',2':1,6]pyrido[3,4-b]indoles. ARKIVOC, 2: 20-28.
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  81. Prathipati, P., G. Pandey and A.K. Saxena, 2005. CoMFA and docking studies on glycogen phosphorylase a inhibitors as antidiabetic agents. J. Chem. Inform. Model., 45: 136-145.
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  82. Prathipati, P. and A.K. Saxena, 2005. Characterization of β3-adrenergic receptor: Determination of pharmacophore and 3D QSAR model for β3 adrenergic receptor agonism. J. Comput.-Aided Mol. Des., 19: 93-110.
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  83. Srivastava, S., K. Bhandari, G. Shankar, H.K. Singh and A.K. Saxena, 2004. Synthesis, anorexigenic activity and QSAR of substituted aryloxypropanolamines. Med. Chem. Res., 13: 631-642.
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  84. Shakya, N., Z. Fatima and A.K. Saxena, 2004. 3D-QSAR studies on substituted dihydropyridines for their α1a-adrenergic receptor binding affinity. Med. Chem. Res., 13: 812-823.
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  85. Saxena, A.K. and K.J. Schaper, 2004. QSAR analysis of the time dependent hypotensive activity of 1-[3-(4-substituted phenylthio)propyl]-4-(3,4-substituted phenyl)piperazines using artificial neural networks. QSAR Combinatorial Sci., 22: 965-983.
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  86. Rathi, L., S.K. Kashaw, A. Dixit, G. Pandey and A.K. Saxena, 2004. Pharmacophore identification and 3D-QSAR studies in N-(2-benzoyl phenyl)-L-tyrosines as PPARγ agonists. Bioorg. Med. Chem., 12: 63-69.
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  87. Pandey, G., S.K. Kashaw and A.K. Saxena, 2004. CoMFA, advance CoMFA and CoMSIA studies on the oxadiazole substituted α-isopropoxy phenylpropionic acids for PPARα agonistic activity. Med. Chem. Res., 13: 677-686.
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  88. Leger, J.M., J. Guillon, S. Massip, A.K. Saxena, P. Negrier and C. Jarry, 2004. Crystal structure of Daijisong. Anal. Sci.: X-Ray Struct. Anal. Online, 20: X105-X106.
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  89. Kapoor, A., S.K. Kashaw and A.K. Saxena, 2004. QSAR and molecular modeling studies in imidazopyridinethiazolidine-2,4-diones: PPARγ agonists. Med. Chem. Res., 13: 770-780.
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  90. Gaur, S., P. Prathipati, M. Saxena and A.K. Saxena, 2004. CoMFA and CoMSIA studies on a set of benzyl piperazines, piperadines, pyrazinopyridoindoles, pyrazinoisoquinolines and semi rigid analogs of diphenhydramine. Med. Chem. Res., 13: 746-757.
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  91. Dixit, A., S.K. Kashaw, S. Gaur and A.K. Saxena, 2004. Development of CoMFA, advance CoMFA and CoMSIA models in pyrroloquinazolines as thrombin receptor antagonist. Bioorg. Med. Chem., 12: 3591-3598.
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  92. Despande, S.V., M.A. Babu, A.K. Gupta, S.G. Kaskhedikar and A.K. Saxena, 2004. 3D QSAR analysis of some heterocyclic compounds as cyclooxygenase-2 inhibitors. Med. Chem. Res., 13: 337-347.
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  93. Awasthis, K.K., R. Chakrabarty and A.K. Saxena, 2004. A convenient route for the synthesis of cis-1-substituted 1,2,3,4,4a,5,11,11a-octahydro-6h-pyrido [3,2-b] carbazoles and 4-substituted 1,2,3,4,4a,5,6,11c-octahydro-7H-pyrido [2,3-c] carbazoles as potent dopamine agonists. Med. Chem. Res., 13: 758-769.
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  94. Saxena, A.K., S. Ram, M. Saxena, N. Singh and P. Prathipati et al., 2003. QSAR studies in substituted 1,2,3,4,6,7,12,12a-octa-hydropyrazino[2',1':6,1]pyrido[3,4-b]indoles-a potent class of neuroleptics. Bioorg. Med. Chem., 11: 2085-2090.
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  95. Saxena, A.K. and P. Prathipati, 2003. Comparison of MLR, PLS and GA-MLR in QSAR analysis. SAR QSAR Environ. Res., 14: 433-445.
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  96. Kashaw, S.K., L. Rathi, P. Mishra and A.K. Saxena, 2003. Development of 3D-QSAR models in cyclic ureidobenzenesulfonamides: Human β3-adrenergic receptor agonist. Bioorg. Med. Chem. Lett., 13: 2481-2484.
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  97. Dwivedi, A.K., D. Saxena, A.K. Saxena and S. Singh, 2003. Assay method for quality control and stability studies of a new CVS disorder agent (compound 93/478). J. Pharmaceut. Biomed. Anal., 33: 33-38.
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  98. Gupta, M.K., P. Mishra, P. Prathipati and A.K. Saxena, 2002. 2D-QSAR in hydroxamic acid derivatives as peptide deformylase inhibitors and antibacterial agents. Bioorg. Med. Chem., 10: 3713-3716.
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  99. Babu, M.A., N. Shakya, P. Prathipati, S.G. Kaskhedikar and A.K. Saxena, 2002. Development of 3D-QSAR models for 5-lipoxygenase antagonists: Chalcones. Bioorg. Med. Chem., 10: 4035-4041.
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  100. Srivastava, A., V. Srivastava, S.M. Verma and A.K. Saxena, 2001. Preparation of isomeric hydrazones: Role of lone electron pair of nitrogen in controlling the stability. Indian J. Chem., 40B: 20-24.
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  101. Shah, M.D., N.C. Desai, K.K. Awasthi and A.K. Saxena, 2001. Syntheses and QSAR studies of 5-imidazolinone derivatives as potential anti-bacterial agents. Indian J. Chem., 40B: 201-208.
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  102. Saxena, A.K., S.K. Pandey, R.C. Tripathi and R. Raghubir, 2001. Synthesis, molecular modeling and QSAR studies in chiral 2,3-disubstituted-1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indoles as potential modulators of opioid antinociception. Bioorg. Med. Chem., 9: 1559-1570.
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  103. Saxena, A.K., S.K. Pandey, P. Seth, M.P. Singh, M. Dikshit and A. Carpy, 2001. Synthesis and QSAR studies in 2-(N-aryl-N-aroyl) amino-4, 5-dihydrothiazole derivatives as potential antithrombotic agents. Bioorg. Med. Chem., 9: 2025-2034.
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  104. Pandya, T., S.K. Pandey, M. Tiwari, S.C. Chaturvedi and A.K. Saxena, 2001. 3-D QSAR studies of triazolinone based balanced AT1/AT2 receptor antagonists. Bioorg. Med. Chem., 9: 291-300.
    CrossRef  |  PubMed  |  Direct Link  |  

  105. Pandey, S.K., N.B. Naware, P. Trivedi and A.K. Saxena, 2001. Molecular modeling and 3D-QSAR studies in 2-aziridinyl-and 2,3-bis(aziridinyl)-1,4-naphthoquinonyl sulfonate and acylate derivatives as potential antimalarial agents. SAR QSAR Environ. Res., 12: 547-564.
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  106. Pandey, S.K., K.K. Awasthi and A.K. Saxena, 2001. Microwave assisted stereospecific synthesis of (S)-3-substituted 2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-diones. Tetrahedron, 57: 4437-4442.
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  107. Desai, B., D. Sureja, Y. Naliapara, A. Shah and A.K. Saxena, 2001. Synthesis and QSAR studies of 4-substituted phenyl-2,6-dimethyl-3,5-bis-N-(substituted phenyl) carbamoyl-1,4-dihydropyridines as potential antitubercular agents. Bioorg. Med. Chem., 9: 1993-1998.
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