All Stories

  1. Recent Developments on Synthesis of Indole Derivatives Through Green Approaches and Their Pharmaceutical Applications

    Article • Current Organic Chemistry, December 2020, Bentham Science Publishers

    Dr Shovanlal Gayen, Mr. Shivam Kumar Kori

  2. Current Discovery Progress of Some Emerging Anti-infective Chalcones: Highlights from 2016 to 2017

    Article • Current Drug Discovery Technologies, April 2020, Bentham Science Publishers

    Sanjay Kumar Bharti, Dr Shovanlal Gayen

  3. 2-Phenylindole derivatives as anticancer agents: synthesis and screening against murine melanoma, human lung and breast cancer cell lines

    Article • Synthetic Communications, June 2019, Taylor & Francis

    Dr Shovanlal Gayen

  4. Insight into structural features of phenyltetrazole derivatives as ABCG2 inhibitors for the treatment of multidrug resistance in cancer

    Article • SAR and QSAR in Environmental Research, June 2019, Taylor & Francis

    Bhagwati Bhardwaj, Dr Shovanlal Gayen

  5. Exploration of good and bad structural fingerprints for inhibition of indoleamine-2,3-dioxygenase enzyme in cancer immunotherapy using Monte Carlo optimization and Bayesian classification QSAR modeling

    Article • Journal of Biomolecular Structure and Dynamics, May 2019, Taylor & Francis

    Dr Shovanlal Gayen, Bhagwati Bhardwaj

  6. Good and bad molecular fingerprints for human rhinovirus 3C protease inhibition: identification, validation, and application in designing of new inhibitors through Monte Carlo-based QSAR study

    Article • Journal of Biomolecular Structure and Dynamics, January 2019, Taylor & Francis

    Dr Shovanlal Gayen

  7. Reliable structural information for rational design of benzoxazole type potential cholesteryl ester transfer protein (CETP) inhibitors through multiple validated modeling techniques

    Article • Journal of Biomolecular Structure and Dynamics, November 2018, Taylor & Francis

    Dr Shovanlal Gayen

  8. Integrin Antagonists: A Special Emphasis on Structural Requirements of N-benzoyl-L-biphenylalanines as α4β7 and α4β1 Antagonists

    Article • Current Signal Transduction Therapy, September 2018, Bentham Science Publishers

    Dr Shovanlal Gayen

  9. A review on camptothecin analogs with promising cytotoxic profile

    Article • Anti-Cancer Agents in Medicinal Chemistry, March 2018, Bentham Science Publishers

    Dr Shovanlal Gayen

  10. Structural exploration of hydroxyethylamines as HIV-1 protease inhibitors: new features identified

    Article • SAR and QSAR in Environmental Research, March 2018, Taylor & Francis

    Dr Shovanlal Gayen

  11. Identification of structural requirements and prediction of inhibitory activity of natural flavonoids against Zika virus through molecular docking and Monte Carlo based QSAR Simulation

    Article • Natural Product Research, December 2017, Taylor & Francis

    Dr Shovanlal Gayen

  12. An Integrated Multi-QSAR Modeling Approach for Designing Knoevenagel- Type Indoles with Enhancing Cytotoxic Profiles

    Article • Current Computer - Aided Drug Design, November 2017, Bentham Science Publishers

    Dr Shovanlal Gayen

  13. Hydroxyethylamine derivatives as HIV-1 protease inhibitors: a predictive QSAR modelling study based on Monte Carlo optimization

    Article • SAR and QSAR in Environmental Research, October 2017, Taylor & Francis

    Dr Shovanlal Gayen

  14. First report on the structural exploration and prediction of new BPTES analogs as glutaminase inhibitors

    Article • Journal of Molecular Structure, September 2017, Elsevier

    Dr Shovanlal Gayen

  15. Possible Binding Mode Analysis of Pyrazolo-triazole Hybrids as Potential Anticancer Agents through Validated Molecular Docking and 3D-QSAR Modeling Approaches

    Article • Letters in Drug Design & Discovery, April 2017, Bentham Science Publishers

    Dr Shovanlal Gayen

  16. Pharmacoinformatics study of Piperolactam A from Piper betle root as new lead for non steroidal anti fertility drug development

    Article • Computational Biology and Chemistry, April 2017, Elsevier

    Dr Shovanlal Gayen

  17. An integrated ligand-based modelling approach to explore the structure-property relationships of influenza endonuclease inhibitors

    Article • Structural Chemistry, March 2017, Springer Science + Business Media

    Dr Shovanlal Gayen

  18. Insight into the structural requirements of pyrimidine-based phosphodiesterase 10A (PDE10A) inhibitors by multiple validated 3D QSAR approaches

    Article • SAR and QSAR in Environmental Research, March 2017, Taylor & Francis

    Dr Shovanlal Gayen

  19. Exploring pyrazolo[3,4-d]pyrimidine phosphodiesterase 1 (PDE1) inhibitors: a predictive approach combining comparative validated multiple molecular modelling techniques

    Article • Journal of Biomolecular Structure and Dynamics, February 2017, Taylor & Francis

    Dr Shovanlal Gayen

  20. First molecular modeling report on novel arylpyrimidine kynurenine monooxygenase inhibitors through multi-QSAR analysis against Huntington’s disease: A proposal to chemists!

    Article • Bioorganic & Medicinal Chemistry Letters, December 2016, Elsevier

    Dr Shovanlal Gayen

  21. Modelling the cytotoxic activity of pyrazolo-triazole hybrids using descriptors calculated from the open source tool “PaDEL-descriptor”

    Article • Journal of Taibah University for Science, November 2016, Elsevier

    Dr Shovanlal Gayen

  22. Exploring structural requirements of unconventional Knoevenagel-type indole derivatives as anticancer agents through comparative QSAR modeling approaches

    Article • Canadian Journal of Chemistry, July 2016, Canadian Science Publishing

    Dr Shovanlal Gayen

  23. Insight into the Structural Requirements of Theophylline-Based Aldehyde Dehydrogenase lAl (ALDHlAl) Inhibitors Through Multi-QSAR Modeling and Molecular Docking Approaches

    Article • Current Drug Discovery Technologies, June 2016, Bentham Science Publishers

    Dr Shovanlal Gayen, Tarun Jha

  24. Identification of covalent active site inhibitors of dengue virus protease

    Article • Drug Design Development and Therapy, December 2015, Dove Medical Press

    Miss perlyn Kwek, Dr Shovanlal Gayen

  25. Secondary structure and membrane topology of dengue virus NS4B N-terminal 125 amino acids

    Article • Biochimica et Biophysica Acta (BBA) - Biomembranes, December 2015, Elsevier

    Dr Shovanlal Gayen

  26. Structural analysis of the S4–S5 linker of the human KCNQ1 potassium channel

    Article • Biochemical and Biophysical Research Communications, January 2015, Elsevier

    Dr Shovanlal Gayen

  27. Comparative validated molecular modeling of p53-HDM2 inhibitors as antiproliferative agents

    Article • European Journal of Medicinal Chemistry, January 2015, Elsevier

    Dr Shovanlal Gayen

  28. Structural insight into the transmembrane segments 3 and 4 of the hERG potassium channel

    Article • Journal of Peptide Science, October 2014, Wiley

    Dr Shovanlal Gayen

  29. Structure of the C-terminal Region of the Frizzled Receptor 1 in Detergent Micelles

    Article • Molecules, July 2013, MDPI AG

    Dr Shovanlal Gayen

  30. Solution Structure of the trans-membrane domain of the NS2A of dengue virus

    Article • February 2013, Protein Data Bank, Rutgers University

    Dr Shovanlal Gayen

  31. Exploring the binding of peptidic West Nile virus NS2B–NS3 protease inhibitors by NMR

    Article • Antiviral Research, February 2013, Elsevier

    Dr Shovanlal Gayen

  32. Purification and structural characterization of the voltage-sensor domain of the hERG potassium channel

    Article • Protein Expression and Purification, December 2012, Elsevier

    Dr Shovanlal Gayen

  33. Solution NMR Study of the Transmembrane Domain of Single-Span Membrane Proteins: Opportunities and Strategies

    Article • Current Protein and Peptide Science, October 2012, Bentham Science Publishers

    Dr Shovanlal Gayen

  34. West Nile Virus (WNV) protease and membrane interactions revealed by NMR spectroscopy

    Article • Biochemical and Biophysical Research Communications, July 2012, Elsevier

    Dr Shovanlal Gayen

  35. 1H, 13C and 15N chemical shift assignments for an intracellular proteinase inhibitor of Bacillus subtilis

    Article • Biomolecular NMR Assignments, May 2012, Springer Science + Business Media

    Dr Shovanlal Gayen

  36. Subunit F modulates ATP binding and migration in the nucleotide-binding subunit B of the A1AO ATP synthase of Methanosarcina mazei Gö1

    Article • Journal of Bioenergetics and Biomembranes, February 2012, Springer Science + Business Media

    Dr Shovanlal Gayen

  37. Expression and purification of the p75 neurotrophin receptor transmembrane domain using a ketosteroid isomerase tag

    Article • Microbial Cell Factories, January 2012, Springer Science + Business Media

    Dr Shovanlal Gayen

  38. The solution structure of the S4-S5 linker of the hERG potassium channel

    Article • Journal of Peptide Science, November 2011, Wiley

    Dr Shovanlal Gayen

  39. NMR structural study of the intracellular loop 3 of the serotonin 5-HT1A receptor and its interaction with calmodulin

    Article • Biochimica et Biophysica Acta (BBA) - Biomembranes, September 2011, Elsevier

    Dr Shovanlal Gayen

  40. Solution structure of a Human minimembrane protein OST4

    Article • June 2011, Protein Data Bank, Rutgers University

    Dr Shovanlal Gayen

  41. An NMR study of the N-terminal domain of wild-type hERG and a T65P trafficking deficient hERG mutant

    Article • Proteins Structure Function and Bioinformatics, June 2011, Wiley

    Dr Shovanlal Gayen

  42. Solution structure of a human minimembrane protein Ost4, a subunit of the oligosaccharyltransferase complex

    Article • Biochemical and Biophysical Research Communications, June 2011, Elsevier

    Dr Shovanlal Gayen

  43. NMR solution structure of NBD94483-502 of the nucleotide-binding domain of the Plasmodium yoelii reticulocyte-binding protein Py235

    Article • FEMS Microbiology Letters, March 2011, Oxford University Press (OUP)

    Dr Shovanlal Gayen

  44. Solution structure of subunit F (Vma7p) of the eukaryotic V1VO ATPase from Saccharomyces cerevisiae derived from SAXS and NMR spectroscopy

    Article • Biochimica et Biophysica Acta (BBA) - Biomembranes, January 2011, Elsevier

    Dr Shovanlal Gayen

  45. NMR solution structure of the N-terminal PAS domain of hERG

    Article • December 2010, Protein Data Bank, Rutgers University

    Dr Shovanlal Gayen

  46. NMR solution structure of the N-terminal domain of hERG and its interaction with the S4–S5 linker

    Article • Biochemical and Biophysical Research Communications, December 2010, Elsevier

    Dr Shovanlal Gayen

  47. Crystal and solution structure of the C-terminal part of the Methanocaldococcus jannaschii A1AO ATP synthase subunit E revealed by X-ray diffraction and small-angle X-ray scattering

    Article • Journal of Bioenergetics and Biomembranes, June 2010, Springer Science + Business Media

    Dr Shovanlal Gayen

  48. Crosstalk along the Stalk: Dynamics of the Interaction of Subunits B and F in the A1AOATP Synthase ofMethanosarcina mazeiGö1

    Article • Biochemistry, May 2010, American Chemical Society (ACS)

    Dr Shovanlal Gayen

  49. Disulfide linkage in the coiled-coil domain of subunit H of A1AOATP synthase fromMethanocaldococcus jannaschiiand the NMR structure of the C-terminal segment H85-104

    Article • FEBS Letters, December 2009, Wiley

    Dr Shovanlal Gayen

  50. Structural insight into the motor protein A1A0ATP synthase and implications in coupling events

    Article • Acta Crystallographica Section A Foundations of Crystallography, August 2009, International Union of Crystallography

    Dr Shovanlal Gayen

  51. NMR solution structure of the N-terminal domain of subunit E (E1–52) of A1AO ATP synthase from Methanocaldococcus jannaschii

    Article • Journal of Bioenergetics and Biomembranes, August 2009, Springer Science + Business Media

    Dr Shovanlal Gayen

  52. Domain Features of the Peripheral Stalk Subunit H of the Methanogenic A1AO ATP Synthase and the NMR Solution Structure of H1-47

    Article • Biophysical Journal, July 2009, Elsevier

    Dr Shovanlal Gayen

  53. Assembly of subunit d (Vma6p) and G (Vma10p) and the NMR solution structure of subunit G (G1–59) of the Saccharomyces cerevisiae V1VO ATPase

    Article • Biochimica et Biophysica Acta (BBA) - Bioenergetics, April 2009, Elsevier

    Dr Shovanlal Gayen

  54. Low resolution structure of subunit b (b 22–156) of Escherichia coli F1FO ATP synthase in solution and the b−δ assembly

    Article • Journal of Bioenergetics and Biomembranes, July 2008, Springer Science + Business Media

    Dr Shovanlal Gayen

  55. S1.32 Intermediate positions of ATP on its trail to the binding pocket of subunit B and the high resolution structure of its neighbouring subunit F of the A1AO A1A0 ATP synthase

    Article • Biochimica et Biophysica Acta (BBA) - Bioenergetics, July 2008, Elsevier

    Dr Shovanlal Gayen

  56. Identification of critical residues of subunit H in its interaction with subunit E of the A-ATP synthase from Methanocaldococcus jannaschii

    Article • FEBS Journal, March 2008, Wiley

    Dr Shovanlal Gayen

  57. Spectroscopical identification of residues of subunit G of the yeast V-ATPase in its connection with subunit E

    Article • Molecular Membrane Biology, January 2008, Taylor & Francis

    Dr Shovanlal Gayen

  58. NMR Solution Structure of Subunit F of the Methanogenic A1AOAdenosine Triphosphate Synthase and Its Interaction with the Nucleotide-Binding Subunit B†,‡

    Article • Biochemistry, October 2007, American Chemical Society (ACS)

    Dr Shovanlal Gayen

  59. 1H, 13C, and 15N resonance assignments of subunit F of the A1AO ATP synthase from Methanosarcina mazei Gö1

    Article • Biomolecular NMR Assignments, May 2007, Springer Science + Business Media

    Dr Shovanlal Gayen

  60. Antibacterial activity of Abies webbiana

    Article • Fitoterapia, February 2007, Elsevier

    Dr Shovanlal Gayen

  61. Small-Angle X-ray Scattering Reveals the Solution Structure of the Peripheral Stalk Subunit H of the A1AOATP Synthase fromMethanocaldococcus jannaschiiand Its Binding to the Catalytic A Subunit†

    Article • Biochemistry, February 2007, American Chemical Society (ACS)

    Dr Shovanlal Gayen

  62. Exploring QSAR on 3-aminopyrazoles as antitumor agents for their inhibitory activity of CDK2/cyclin A

    Article • European Journal of Medicinal Chemistry, October 2006, Elsevier

    Dr Shovanlal Gayen

  63. QSAR modeling of neonicotinoid insecticides for their selective affinity towards Drosophila nicotinic receptors over mammalian α4β2receptors

    Article • Canadian Journal of Chemistry, March 2006, Canadian Science Publishing

    Dr Shovanlal Gayen

  64. QSAR modeling on dopamine D2 receptor binding affinity of 6-methoxy benzamides

    Article • Il Farmaco, October 2005, Elsevier

    Dr Shovanlal Gayen

  65. Quantitative structure–activity relationship study using refractotopological state atom index on some neonicotinoid insecticides

    Article • Bioorganic & Medicinal Chemistry, December 2004, Elsevier

    Dr Shovanlal Gayen

  66. Quantitative structure–activity relationship study on some benzodiazepine derivatives as anti-Alzheimer agents

    Article • Journal of Molecular Modeling, September 2004, Springer Science + Business Media

    Dr Shovanlal Gayen

  67. QSAR study on some anti-HIV HEPT analogues using physicochemical and topological parameters

    Article • Bioorganic & Medicinal Chemistry, March 2004, Elsevier

    Dr Shovanlal Gayen

  68. 5-N-Substituted-2-(substituted benzenesulphonyl) glutamines as antitumor agents. Part II: Synthesis, biological activity and QSAR study

    Article • Bioorganic & Medicinal Chemistry, March 2004, Elsevier

    Dr Shovanlal Gayen

  69. QSAR study on some pyridoacridine ascididemin analogues as anti-tumor agents

    Article • Bioorganic & Medicinal Chemistry, December 2003, Elsevier

    Dr Shovanlal Gayen

  70. Quantitative Structure-Activity Relationship Study on Some Azidopyridinyl Neonicotinoid Insecticides for Their Selective Affinity Towards the Drosophila Nicotinic Receptor Over Mammalian ?4?2 Receptor Using Electrotopological State Atom Index

    Article • Drug Design and Discovery, April 2003, Taylor & Francis

    Dr Shovanlal Gayen

  71. Quantitative Structure-Activity Relationship Study on Some Azidopyridinyl Neonicotinoid Insecticides for Their Selective Affinity Towards the Drosophila Nicotinic Receptor Over Mammalian a4ß2 Receptor Using Electrotopological State Atom Index

    Article • Drug Design and Discovery, January 2003, Taylor & Francis

    Dr Shovanlal Gayen