Publications

Book chapters

1. Natesan. S., Krishnaswami. V., Radhakrishnan. S., Kumar. V.S., Sonali. N., Nirmal. J., and Gayen. S., New drug targets and drug delivery strategies for various ocular disorders, in Bio-Targets and drug delivery approaches. CRC Press, Taylor and Francis Group (2016).

Conference Paper

1. Kumar, A., Manimekalai, M. S. S., Balakrishna, A. M., Gayen, S., Vivekanandan, S., Biukovic, G., Yoon, H. S., Grüber, G, 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 A1A0 ATP synthase, Biochimica et Biophysica Acta (BBA) - Bioenergetics, 1777, Conference: 15th European Bioenergetics Conference in 2008. (Impact factor, 4.932)

2. Manimekalai, M. S. S., Grüber, G, Kumar, A., Balakrishna, A. M., Gayen, S. Structural insight into the motor protein A1A0 ATP synthase and implications in coupling events, Acta Crystallographica Section A Foundations of Crystallography 65(a1), Conference: 25th European Crystallographic Meeting in 2009. (Impact factor, 5.725)

Journals

1. Debnath, B., Gayen, S., Bhattacharya, S., Samanta, S., and Jha, T. QSAR study on some Pyridoacridine Ascididemin Analogues as antitumor agents. Bioorg. Med. Chem., 11, 5493-5499. (Impact factor, 2.951)

2. Debnath, B., Gayen, S., Naskar, S. K., Roy, K., and Jha, T. Quantitative Structure-Activity Relationship Study on Some Azidopyridinyl Neonicotinoid Insecticides for Their Selective Affinity Towards the Drosophila Nicotinic Receptor Over Mammalian a₄b₂ Receptor Using Electrotopological State Atom Index. Drug. Des. Discov, 18, 81-89. (Impact factor, 0.805)

3. Gayen, S., Debnath, B., Samanta, S., and Jha, T. QSAR Study on Some Anti-HIV HEPT Analogues Using Physicochemical and Topological Parameters. Bioorg. Med. Chem, 12, 1493-1503. (Impact factor , 2.951)

4. Samanta, S., Srikanth, K., Banerjee, S., Debnath, B., Gayen, S., and Jha, T. 5-N-Substituted-2-(Substituted Benzenesulphonyl) Glutamines as Antitumor Agents II: Synthesis, Biological Activity and QSAR Study. Bioorg. Med. Chem, 12, 1413-1423. (Impact factor, 2.951)

5. Debnath, B., Gayen, S., Basu, A., Srikanth, K., and Jha, T. Quantitative Structure-Activity Relationship Study on Some Benzodiazepine Derivatives as anti-Alzheimer Agents. J. Mol. Mod., 10, 328-334. (Impact factor, 1.867)

6. Debnath, B., Gayen, S., Basu, A., Ghosh, B., Srikanth, K., and Jha, T. Quantitative Structure-Activity Relationship Study Using Refractotopological State Atom Indices on Some Neonicotinoid Insecticides. Bioorg. Med. Chem., 12, 6137-6145. (Impact facor 2011, 2.951)

7. Gayen, S., Debnath, B. and Jha, T. QSAR Study on Some Antirhino/Enteroviral Vinylacetylene Benzimidazoles. Internet Electron. J. Mol. Des. 3, 771-780.

8. Samanta, S., Debnath, B., Gayen, S., Ghosh, B., Basu, A., Srikanth, K., and Jha, T. QSAR Modeling of Dopamine D2 receptor binding affinity of 6-methoxy benzamides. Farmaco., 10, 818-825.

9. Gayen, S., Debnath, B., Samanta, S., Ghosh, B., Basu, A., and Jha, T. Glutamamide Analogues as Anticancer agents–part 3: Synthesis, Biological Screening and QSAR Study. Internet Electron. J. Mol. Des. 4, 556-578.

10. Gayen, S., Debnath, B., Basu, A., Samanta, S., Ghosh, B., Naskar, S.K. and Jha, T. QSAR Study on Some Ethenesulfonamide Derivatives as Endothelin Receptor Antagonists. Internet Electron. J. Mol. Des. 4, 210-220.

11. Debnath, B., Gayen, S., Samanta, S., Basu, A., Ghosh, B., and Jha, T. QSAR study on some synthesized and biologically evaluated glutamine analogs as possible anticancer agents. Indian Journal of Chemistry A, 45, 93-99. (Impact factor, 0.628)

12. Samanta, S., Gayen, S., Ghosh, B., Panda, P., Srikanth, K., and Jha, T., QSAR Analysis of Some Indirubin Derivatives as Potent and Selective Inhibitors of Cyclin–Dependent Kinases and Glycogen Synthase Kinase–3, Int. J. Appl. Chem. 2, 169-180.

13. Samanta, S., Debnath, B., Basu, A., Gayen, S., Srikanth K., and Jha T. Exploring QSAR on 3-aminopyrazoles as antitumor agents for their inhibitory activity of CDK2/cyclin A. Eur. J. Med. Chem., 41, 1190-1195. (Impact factor, 3.432)

14. Vishnoi, S.P., Ghosh, A.K., Debnath, B., Samanta, S., Gayen, S. and Jha T. Antibacterial activity of Abies webbiana. Fitoterapia, 78, 153-155. (Impact facor, 2.216)

15. Basu, A., Gayen, S., Samanta, S., Panda, P., Srikanth K., and Jha T. QSAR modeling of neonicotinoid insecticides for their selective affinity towards drosophila nicotinic receptor over mammalian α4β2 receptor. Can. J. Chem. 84, 458-463. (impact factor, 1.013)

16. Biuković, G., Rössle, M., Gayen, S., Mu, Y., and Grüber, G. Small-angle X-ray scattering reveals the solution structure of the peripheral stalk subunit H of the A₁A_O ATP synthase from Methanocaldococcus jannaschii and its binding to the catalytic A subunit. Biochemistry, 46, 2070-2078. (Impact factor, 3.194)

17. Gayen, S., Vivekanandan, S., Biuković, G., Grüber, G., and Yoon, H. S. Backbone ¹H, ¹³C, and ¹⁵N resonance assignments of subunit F of the A₁A_O ATP synthase from Methanosarcina mazei Gö1. Biomol. NMR Assign. 1, 23-25. (Impact factor, 0.820)

18. Gayen, S., Vivekanandan, S., Biuković, G., Grüber, G., and Yoon, H. S. The NMR solution structure of subunit F of the methanogenic A₁A_O ATP synthase and its interaction with the nucleotide-binding subunit B. Biochemistry. 46. 11684-11694. (Impact factor, 3.194)

19. Gayen, S., Balakrishna, A. M., Biuković, G., Yulei, W., Hunke, C. and Grüber, G. Identification of critical residues of subunit H in its interaction with subunit E of the A-ATP synthase from Methanocaldococcus jannaschii. FEBS J., 275, 1803-1812. (Impact factor, 3.986)

20. Rishikesan, S., Thaker, R. Y., Priya, R., Gayen, S., Manimekalai, M. S. S., Hunke, C. and Grüber, G. Spectroscopical identification of residues of subunit G of the yeast V-ATPase in its connection with subunit E. Mol. Mem. Biol., 25: 400-410. (Impact factor, 1.729)

21. Priya, R., Tadwal, V. S., Rössle, M. W., Gayen, S., Hunke, C., Peng, W. C., Torres, J. and Grüber, G. Low resolution structure of subunit b (b22-156) of Escherichia coli F1FO ATP synthase in solution and the b-d assembly. J. Bioenerg. Biomembr. 40, 245-255. (Impact factor, 2.708)

22. Rishikesan, S., Gayen, S., Thaker, R. Y., Vivekanandan, S., Manimekalai, M. S. S., Yau, Y. H., Greifman Shochat, S. and Grüber, G. Assembly of subunit d (Vma6p) and G (Vma10p) and the NMR solution structure of subunit G (G_1-59) of the Saccharomyces cerevisiae V₁V_O ATPase. Biochim. Biophys. Acta-Bioenergetics, 1787, 242-251. (Impact factor, 4.829)

23. Biuković, G., Gayen, S., Pervushin, K. and Grüber, G. (2009) The domain features of the peripheral stalk subunit H of the methanogenic A₁A_O ATP synthase and the NMR solution structure of H1-47. Biophys. J. 97, 286-294. (Impact factor, 3.832)

24. Gayen, S., Balakrishna, A. M. and Grüber, G. (2009) NMR solution structure of the N–terminal domain of subunit E (E_1-52) of A₁A_O ATP synthase from Methanocaldococcus jannaschii. J. Bioenerg. Biomembr. 41, 343-348. (Impact factor, 2.708)

25. Priya, R., Biuković, G., Gayen, S., Vivekanandan, S., and Grüber, G. (2009) NMR solution structure of the b30-82 domain of subunit b of Escherichia coli F₁F_O ATP synthase. J. Bacteriology 191, 7538-7544. (Impact factor 2011, 2.688)

26. Gayen, S. and Grüber, G. (2009) Disulfide linkage in the coiled-coil domain of subunit H of A₁A_O ATP synthase from Methanocaldococcus jannaschii and the NMR structure of the C-terminal segment H_85-104. FEBS Lett. 584, 713-718. (Impact factor, 3.341)

27. Devanathan R., Gayen, S., Grüber G and Verma C.S. (2010). Crosstalk along the stalk: Dynamics of the interactions of subunits B and F in the A₁A_O ATP synthase of methanosarcina mazei GÖ1. Biochemistry 49, 4181-4190. (impact factor, 3.194)

28. Manimekalai, M. S. S., Balakrishna, A. M., Hunke, C., Gayen, S., Rössle, M., Jeyakanthan, J. and Grüber, G. (2010) 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. J. Bioenerg. Biomembr., 42, 311-320. (impact factor, 2.708)

29. Basak, S., Gayen, S., Thaker, YR., Manimekalai, M. S. S., Rössle, M., Hunke, C. and Grüber, G. (2010) Solution structure of subunit F (Vma7p) of the eukaryotic V(1)V(O) ATPase from Saccharomyces cerevisiae derived from SAXS and NMR spectroscopy. Biochim. Biophys. Acta-Biomembrane, 1808, 360-368. (impact factor, 3.431)

30. Li, Q., Gayen, S., Chen. AS., Huang, Q., Raida, M. and Kang, C. NMR solution structure of the N-terminal domain of hERG and its interaction with the S4-S5 linker. Biochem. Biophys. Res. Commun, 403, 126-132. (impact factor, 2.281)

31. Basak, S., Gayen, S., Ramalingam, JK., Grüber, A. Preiser PR. and Grüber, G. NMR Solution structure of NBD94(483-502) of the nucleotide-binding domain of the Plasmodium yoelii reticulosite-binding protein Py235. FEMS Microbiol. Lett., 318, 152-158. (Impact factor, 2.723)

32. Gayen, S. and Kang, C. NMR structure of a human mini-membrane protein OST4, a subunit of the oligosaccharyl-transferase complex. Biochem. Biophys. Res. Commun, 409, 572-576. (Impact factor, 2.281)

33. Chen. AS., Kim, Y.M., Gayen, S., Huang, Q., Raida, M. and Kang, C. NMR structural study of the intracellular loop 3 of the serotonin 5HT(1A) receptor and its interaction with calmodulin. Biochim. Biophys. Acta-Biomembrane, 409, 572-576. (impact factor, 3.431)

34. Gayen, S., Li, Q., Chen. AS., Kim, YM., Nguyen, TH., Huang, Q., Hill, J. and Kang, C. An NMR study of the N-terminal domain of the wildtype hERG and a T65P trafficking deficient hERG mutant. Proteins – structure, function and bioinformatics, 79, 2557-2565. (impact factor 2011, 2.921)

35. Gayen, S., Li, Q. and Kang, C. The solution structure of the S4-S5 linker of the hERG potassium channel. J. Pept. Sci. 18, 140-145. (impact factor 2011, 1.862)

36. Raghunathan, D., Gayen, S., Kumar, A., Hunke, C., Grüber, G. and Verma, C.S. Subunit F modulates ATP binding and migration in the nucleotide-binding subunit B of the A(1)A(O) ATP synthase of Methanosarcina mazei Gö1. J. Bioenerg. Biomembr. 44, 213-24. (impact factor, 2.708)

37. Li, Q., Chen, A.S., Gayen, S. and Kang, C. Expression and purification of the p75 neurotrophin receptor transmembrane domain using a ketosteroid isomerase tag. Microb. Cell Fact. 17, 11-45. (impact factor, 4.250)

38. Gayen, S., Chen, A.S., Huang, Q. and Kang, C. West Nile Virus (WNV) protease and membrane interactions revealed by NMR spectroscopy. Biochem. Biophys. Res. Commun. 423, 799-804. (impact factor, 2.281)

39. Gayen, S., Li, Q., Kang, C. Solution NMR study of the trans-membrane domain of single-span membrane proteins: opportunities and strategies. Curr. Protein Pept. Sci. 13-585-600 (review article). (impact factor, 2.328)

40. Ng, H.Q., Kim, Y.M., Huang, Q., Gayen, S., Yildiz, A.A., Yoon, H.S., Sinner, E.K. and Kang, C. Purification and structural characterization of the voltage-sensor domain of the hERG potassium channel. Protein Expr. Purif. 86, 98-104. (Impact factor, 1.508).

41. Kang, C, Gayen, S., Wang, W., Severin, R., Chen, A.S., Lim, H.A., Chia, C.S., Schuller, A., Doan, D.N.P., Poulsen, A., Hill, J., Vasudevan, S.G. and Keller, T.H. Exploring the binding of peptidic West Nile Virus NS2B-NS3 protease inhibitors by NMR. Antiviral Res. 97, 137-144. (Impact factor, 3.434)

42. Xie, X., Gayen, S., Kang, C., Yuan, Z., Shi, P.Y. Membrane topology and function of dengue virus NS2A protein. J. Virol, 87, 4609-4622. (Impact factor, 4.648)

43. Kim, Y.M., Gayen, S., Kang, C., Joy, J., Huang, Q., Chen, A.S. Wee, J.L.K., Ang, M.J.Y., Lim, H.A., Hung, A.W., Li R., Noble, C.G., Lee, L.T., Yip, A., Wang, Q.Y., Chia, C.S.B., Hill, J., Shi, P.Y., Keller, T.H. NMR Analysis of a novel enzymatically-active unlinked Dengue NS2B-NS3 protease complex. J. Biol. Chem. 288, 12891-12900. (Impact factor, 4.600)

44. Gayen, S., Li, Q., Kim Y.M., Kang, C. Structure of the C-terminal regions of the Frizzled receptor 1 in Detergent micelles Molecules, 18, 8579-8590. (Impact factor, 2.095)

45. Li. Q., Chen, A.S., Gayen, S. and Kang, C. (2012) ¹H, ¹³C and ¹⁵N chemical shift assignments for an intracellular proteinase inhibitor of Bacillus subtilis. Biomol. NMR. Assign. 7, 129-132. (Impact factor, 0.820)

46. Li, Q., Wong, Y.L., Ng, H.Q., Gayen, S., Kang, C. Structural insight into the trans-membrane segments 3 and 4 of the hERG potassium channel. J. Pep. Sci.,2014, 20, 935-944. (Impact factor, 1.862)

47. Gayen S., Jayabalan N., Basak, S. Nuclear magnetic resonance (NMR) spectroscopy in protein research, J PharmSciTech, 2015, 4, 33-34.

48. Koh-Stenta, X., Joy, J., Wang, SF., Kwek, PZ., Wee, JL., Wan, KF., Gayen, S. et al Identification of covalent active site inhibitors of dengue virus protease. Drug Des. Devel. Ther., 2015, 10, 6389-99. (Impact factor, 3.028)

49. Gayen S., Li, Q., Kang, C. Structural analysis of the S4-S5 linker of the human KCNQ1 potassium channel. Biochem. Biophys. Res. Commun., 2015, 456, 410-414. (Impact factor, 2.281)

50. Mondal, C., Halder AK., Adhikari, N., Saha A., Saha K.D., Gayen S., Jha T. Comparative validated molecular modeling of p53-HDM2 inhibitors as antiproliferative agents. Eur. J. Med. Chem., 2015, 90, 860-875. (Impact factor, 3.432)

51. Li, Y., Kim, YM., Zou, J., Wang, QY., Gayen, S. et al, Secondary structure and membrane topology of dengue virus NS4B N-terminal 125 amino acids, Biochim Biophys Acta. 2015, 1848, 3150-3157. (Impact factor, 3.836)

52. Amin, SA., Adhikari, N., Gayen, S., Jha, T. Insight into the structural requirements of theophylline-based aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors through multi-QSAR modeling and molecular docking approaches. Current drug discovery technologies, 2016, 13, 84-100.

53. Amin, SA., Adhikari N., Jha T., Gayen S. Exploring structural requirements of unconventional Knoevenagel-type indole derivatives as anticancer agents through comparative QSAR modeling approaches. Can. J Chem. 2016, 94, 637-644. (Impact factor, 1.013)

54. Amin, SA., Gayen, S. Modeling cytotoxic activity of some pyrazolo-triazole hybrids using descriptors calculated from open source tool “PaDEL-descriptor”, Journal of Taibah University for Science, 2016, 10, 896-905.

55. Amin, SA, Adhikari N., Agrawal RK., Jha T., Gayen S. Possible Binding Mode Analysis of Pyrazolo-triazole Hybrids as Potential Anticancer Agents through Validated Molecular Docking and 3D-QSAR Modeling Approaches. Letters in drug design and discovery, 2016, 14, 515-527. (Impact factor, 0.974).

56. Awasthi M, Amin, SA., Shukla, V., Jain, S., Patil, UK., Gayen S. Structural requirements of some derivatives based on natural alkaloid lycorine for their dengue inhibitory activity to accelerate dengue drug discovery efforts. Indian J. Nat. Prod. Resource. 2016, 7, 221-228.

57. Amin, SA, Adhikari N., Jha T., Gayen S. First Molecular Modeling Report on Novel Arylpyrimidine Kynurenine Monooxygenase Inhibitors Through Multi-QSAR Analysis against Huntington’s Disease: A Proposal to Chemists!. Bioorg. Med. Chem. Lett., 2016, 26, 5712-5718. (Impact factor, 2.486)

58. Amin. SA, Adhikari N., Bhargava, S., Jha T., Gayen S. Designing Potential Antitrypanosomal Thiazol-2-ethylamines through Predictive Regression Based and Classification Based QSAR Analyses. Current drug discovery technologies. 2016, 14, 39-52.

59. Amin. SA, Bhattacharya. P., Basak. S., Gayen. S., Nandy. A., Saha. A. Pharmacoinformatics study of Piperolactam A from Piper betle root as new lead for non steroidal anti fertility drug development. Computational Biology and chemistry. 2017, 67, 213-224. (Impact factor 1.014).

60. Amin. SA, Bhargava, S., Adhikari N., Gayen S., Jha T. Exploring pyrazolo[3,4-d]pyrimidine phosphodiesterase 1 (PDE1) inhibitors: A predictive approach combining comparative validated multiple molecular modeling techniques. Journal of Biomolecular structure & Dynamics. 2017, 13, 1-19 (Impact factor 2.30).

61. Amin. SA, Adhikari. N., Jha. T., Gayen S. An integrated ligand-based modelling approach to explore the structure-property relationships of influenza endonuclease inhibitors. Structural Chemistry, 2017, 28, 1663-1678. (Impact Factor 1.854).

62. Halder, A, Amin. SA, Jha. T, Gayen S. Insight into the structural requirements of pyrimidine-based phosphodiesterase 10A (PDE10A) inhibitors by multiple validated 3D QSAR Approaches. SAR and QSAR in Environmental Research, 2017, 28, 253-273. (Impact factor 1.897).

63. Amin. SA, Adhikari. N., Jha. T., Gayen S. An Integrated Multi-QSAR Modeling Approach for Designing Knoevenagel-Type Indoles with Enhancing Cytotoxic Profiles. Current Computer-Aided Drug Design, 2017, 13, 336-345. (Impact factor 1.155).

64. Amin. SA., Adhikari. N., Gayen S., Jha. T. First report on the structural exploration and prediction of new BPTES analogs as glutaminase inhibitors. Journal of Molecular Structure, 2017, 1143, 49-64. (Impact factor 1.674).

65. Amin. SA., Adhikari. N., Gayen S., Jha. T. First report on the validated classification-based chemometric modeling of human rhinovirus 3C protease (HRV 3Cpro) inhibitors: Classification-QSARs of HRV 3Cpro Inhibitors. 2017, IJQSPR, Accepted.

66. Amin. SA., Adhikari. N., Gayen S., Jha. T. Homoisoflavonoids as potential antiangiogenic agents for retinal neovascularization, Biomedicine and pharamcotherapy, 2017, 95, 818-827. (Impact factor 2.759)

67. Amin. SA., Adhikari. N., Shukla. V., Jha. T., Gayen S. Structural findings of pyrazolo[1,5-a]pyrimidine compounds for their Pim-1/2 kinase inhibition as potential anticancer agents, Indian Journal of Biochem. Biophys, 2017, 54, 32-56.

68. Adhikari. N., Amin. SA, Jha. T., Gayen S. Integrating regression and classification-based QSARs with molecular docking analyses to explore the structure-antiaromatase activity relationships of letrozole-based analogs, Can J Chem, 2017, 95, 1285-1295. (Impact factor 1.080).

69. Bhargava. S., Adhikari. N., Amin. SA, Das. K., Gayen S., Jha. T. Hydroxyethylamine derivatives as HIV-1 protease inhibitors: A Predictive QSAR modeling study based on Monte Carlo optimization, SAR and QSAR in Environmental Research, 2017, In press. (Impact factor 1.642).

70. Amin. SA., Adhikari. N., Bhargava. S. Gayen S., Jha T. An integrated QSAR modeling approach to explore the structure-property and selectivity relationships of N-benzoyl-L-biphenylalanines as integrin antagonists, Molecular Diversity, 2018, 22, 129-158. (Impact factor 1.752)

71. Bhargava. S., Patel. T., Gaikawad, R., Patil. U.K., Gayen S. Identification of structural requirements and prediction of Inhibitory activity of natural flavonoids against Zika virus through molecular docking and Monte Carlo based QSAR Simulation, Natural Product Research, 2017, In press. (Impact factor 1.828).

72. Amin. SA., Adhikari. N., Baidya. S. Gayen S., Jha T. Structural refinement and prediction of potential CCR2 antagonists through validated multi-QSAR modeling studies. Journal of Biomolecular structure & Dynamics. 2017, In press. (Impact factor 3.12)

73. Gaikawad, R., Amin. SA., Adhikari. N., Ghorai. S., Jha. T., Gayen S. Identification of molecular fingerprints of phenylindole derivatives as cytotoxic agents: A multi-QSAR approach, Structural Chemistry, 2018, In press. (Impact factor 1.582)

74. Amin. SA., Adhikari. N., Gayen S., Jha T. Integrin antagonists: A special emphasis on structural requirements of N-benzoyl-L-biphenylalanines as α₄β₇ and α₄β₁ inhibitors, Current signal transduction therapy, 2018, In press.

75. Amin. SA, Adhikari, N, Bhargava, S., Jha, T. and Gayen S. Structural exploration of hydroxyethylamines as HIV-1 protease inhibitors: New features identified, SAR and QSAR in Environmental Research, 2018, In press. (Impact factor 1.642).

76. Amin. SA., Adhikari. N., Jha T., Gayen. S. A review on camptothecin analogs with promising cytotoxic profile, Anti-cancer agents in medicinal chemistry, 2018, In press. (Impact factor 2.598)

77. Gaikawad, R., Ghorai. S., Amin. SA., Adhikari. N., Patel, T., Das., K., Jha. T., Gayen S. Monte Carlo based modelling approach for designing and predicting cytotoxicity of 2-phenylindole derivatives against breast cancer cell line MCF7, Toxicology in Vitro, 2018, In press. (Impact factor 2.866)

78. Mahapatra, DK., Ghorai, S., Bharti, SK., Patil, AG., Gayen, S. Current discovery progress of some emerging anti-infective chalcones: Highlights from 2016 to 2017. Current drug discovery technologies, 2018, In press.

79. Amin, SA., Adhikari, N., Gayen, S., Jha, T., Reliable structural information for rational design of benzoxazole type potential cholesteryl ester transfer protein (CETP) inhibitors through multiple validated modelling, Journal of Biomolecular Structure and Dynamics, 2018, In press (impact factor 3.107).

80. Jain, S., Amin, SA., Adhikari, N., Jha, T., Gayen, S. 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, Journal of Biomolecular Structure and Dynamics, 2019, In press (impact factor 3.107).

81. Patel, T., Gaikwad, R., Jain, K., Ganesh, R., Bobde, Y., Ghosh, B., Das, K., Gayen, S. First report on 3-(3-oxoaryl) indole derivatives as anticancer agents: Microwave assisted synthesis, in vitro screening and molecular docking studies, ChemistrySelect, In press (impact factor 1.505).

82. Jain, S., Bharadwaj, B., Amin, SA., Adhikari, N., Jha, T., Gayen, S. 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, Journal of Biomolecular Structure and Dynamics, 2019, In press (impact factor 3.107).

83. Bhardwaj, B., Baidya ATK., Amin. SA, Adhikari, N, Jha, T. and Gayen S. Insight into structural features of phenyltetrazole derivatives as ABCG2 inhibitors for the treatment of multidrug resistance in cancer, SAR and QSAR in Environmental Research, 2019, In press. (Impact factor 2.227).

84. Gaikwad, R., Bobde, Y., Ganesh, R., Patel, T., Rathore, A., Ghosh, B., Das, K., Gayen, S. 2-Phenylindole derivatives as anticancer agents: Synthesis and screening against murine melanoma, human lung and breast cancer cell lines, Synthetic communications, 2019, In press (Impact factor 1.337).

85. Dey, KK., Gayen, S., Ghosh, M. Investigation of the Detailed Internal Structure and Dynamics of Itraconazole by Solid-State NMR Measurements, ACS Omega, 2019, In press (Impact factor 2.584).

86. Mondal, D., Ghosh, K., Anurag, ATK., Gantait, AM., and Gayen S. Monte Carlo based Consensus QSTR modeling of Nitroaromatics: Identification of fingerprints for in vivo toxicity, Toxicology Mechanism and Methods, 2019, In press. (Impact factor 2.276).

87. Ghoari, S., Pulya, S., Ghosh, K., Panda, P., Ghosh, B. and Gayen S. Structure activity relationship of Human Carbonic Anhydrase-II inhibitors: Detailed Insight for future development as anti-glaucoma agents, Biorganic Chemsitry, 2019, In press. (Impact factor 3.926).