Publications

PubMed link:  http://www.ncbi.nlm.nih.gov/pubmed/?term=talele+t 

106. Salami, A.; Adiele, U.; Coate, G.; Diolaiti, M.; Chen, H.; Lu, J.; Ashworth, A.; Patil, M.; Fleishman, J. S.; 

     Ramaraju, A.; Patel, A.; Patel, H.; Patel, K.; Murakami, M.; Ambudkar, S. V.; Talele, T. T. Structure-   

     activity relationship studies on 2-thienylidene substituted 3-oxo-2,3-dihydrobenzofuran-7-carboxamides 

     as poly (ADP-ribose) polymerase inhibitors. Bioorg. Chem. 2025, 165, 108941.   

105. Doruk, Y. U.; Diolaiti, M. E.; Ashworth, A.; Talele, T. T. Discovery of a Novel [6-6-5-5-6] Pentacyclic  

  Tetrahydrocyclopentaphthalazinone as a Promising PARP Inhibitor Scaffold. ACS Med. Chem. Lett. 2025,  

  DOI: 10.1021/acsmedchemlett.4c00603. 

  104. Smith-Pillet, E. S.; Billur, R.; Langelier, M. F.; Talele, T. T.; Pascal, J. M.; Black, B. E.

A PARP2 active site helix melts to permit DNA damage-induced enzymatic activation. Mol. Cell 2025, 85, 865-876.

103. Velagapudi, U. K.; Rouleau-Turcotte, E.; Billur, R.; Shao, X.; Patil, M.; Black, B. E.; Pascal, J.; Talele, T. T. Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks. Biochem. J. 2024, 481, 437-460. 

102. Bhuiyan, A. I.; Choi, A.; Sarbani G.; Adiele, U. A.; Dana, D.; Choi, J. Y.; Fath, K. R.; Talele, T. T.; Pathak, S. K. Identification of a novel spirocyclic Nek2 Inhibitor using high throughput virtual screening. Bioorg. Med. Chem. Lett. 2023, 88, 129288.

101. Dana, D.; Das, T.; Choi, A.; Bhuiyan, A. I.; Das, T. K.; Talele, T. T.; Pathak, S. K. Nek2 Kinase Signaling in Malaria, Bone, Immune and Kidney Disorders to Metastatic Cancers and Drug Resistance: Progress on Nek2 Inhibitor Development. Molecules 2022, 27(2), 347. 

100. Krastev, D. B.; Li, S.; Sun, Y.; Wicks, A.; Hoslett, G.; Weekes, D.; Badder, L. M.; Knight, E. G.; Marlow, R.; Calvo, M. P.; Lu, Y.; Talele, T. T.; Bartek, J.; Choudhary, J.; Pommier, Y.; Pettitt, S. J.; Tutt, A.; Ramadan, K.; Lord, C. J. The ubiquitin-dependent ATPase p97 removes cytotoxic trapped PARP1 from chromatin. Nat. Cell Biol. 2021, 24, 62-73 .

99. Wang, M.; Gauthier, A. G.; Kennedy, T. P.; Wang, H.; Velagapudi, U. K.; Talele, T. T., Lin, M.; Wu, J.; Daley, L-A.; Yang, X.; Patel, V.; Mun , S. S.; Ashby, C. R.: Mantell, L. L. 2-O, 3-O desulfated heparin (ODSH) increases bacterial clearance and attenuates lung injury in cystic fibrosis by restoring HMGB1-compromised macrophage function. Mol. Med. 2021, 27, 79. 

98. Velagapudi, U. K.; Patel, B. A., Shao, X.; Pathak, S. K.; Ferraris, D. V.; Talele, T. T. Recent development in the discovery of PARP inhibitors as anticancer agents: A patent update (2016-2020). Expert Opin. Ther. Pat. 2021, 31, 609-623.

97. Shao, X.; Pak, S.; Velagapudi, U. K.; Gobbooru, S.; Kommaraju, S. S.; Low, W-K.; Subramaniam, G.; Pathak, S. K.; Talele, T. T. Synthesis of 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide and 3-oxo-3,4-dihydrobenzo[b][1,4]oxazine-8-carboxamide derivatives as PARP1 inhibitors. Bioorg. Chem. 2020, 102, 104075.

96. Talele, T. T. Opportunities for Tapping into Three-Dimensional Chemical Space through a Quaternary Carbon. J. Med. Chem. 2020, 63, 13291-13315.

95. Talele, T. T. Acetylene Group, Friend or Foe in Medicinal Chemistry. J. Med. Chem. 2020, 63, 5625-5663.

94. Zandarashvili, L.; Langelier, M. F.; Velagapudi, U. K.; Hancock, M. A.; Steffen, J. D.; Billur, R.; Hannan, Z. M.; Wicks, A. J.; Krastev, D. B.; Pettitt, S. J.; Lord, C. J.; Talele, T. T.; Pascal, J. M.; Black, B. E. Structural basis for allosteric PARP-1 retention on DNA breaks. Science 2020, 368 (6486), eaax6367.

93. Ochs, R. S.; Talele, T. T. Revisiting Prochirality. Biochemie, 2020, 170, 65-72.

92. Shao, X.; AbdelKhalek, A.; Abutaleb, N. S.; Velagapudi, U. K.; Yoganathan, S.; Seleem, M. N.; Talele, T. T. Chemical Space Exploration Around Thieno[3,2-d]pyrimidin-4(3H)-one Scaffold led to a Novel Class of Highly Active Clostridium difficile Inhibitors.  J. Med. Chem. 2019, 62, 9772-9791.

91. Velagapudi, U. K.; Langelier, M-F.; Delgado-Martin, C.; Diolaiti, M. E.; Bakker, S.; Ashworth, A.; Patel, B. A.; Shao, X.; Pascal, J. M.; Talele, T. T. Design and synthesis of Poly(ADP-ribose) polymerase inhibitors: Impact of adenosine pocket-binding motif appendage to the 3-oxo-2,3-dihydrobenzofuran-7-carboxamide on potency and selectivity. J. Med. Chem. 2019, 62, 5330-5357.

90. Talele, T. T. Natural-products-inspired use of the gem-dimethyl group in medicinal chemistry. J. Med. Chem. 2018, 61, 2166-2210.

89. Patel, B. A.; Abel, B.; Barbuti, A. M.; Velagapudi, U. K.; Chen, Z. S.; Ambudkar, S. V.; Talele, T. T. Comprehensive synthesis of amino acid-derived thiazole peptidomimetic analogues to understand enigmatic drug/substrate-binding site of P-glycoprotein. J. Med. Chem. 2018, 61, 834-864.

88. Jun, Li.; Kumar, P.; Anreddy, N.; Zhang, Y. K.; Wang, Y. J.; Chen, Y.; Talele, T. T.; Gupta, K.; Trombetta, L. D.; Chen, Z. S. Quizartinib (AC220) reverses ABCG2-mediated multidrug resistance: In vitro and in vivo studies. Oncotarget, 2017, 8, 93785-93799.

87. Beaury, M.; Velagapudi, U. K.; Weber, S.; Soto, C.; Talele, T. T.; Nichols, D. B. The Molluscum Contagiosum Virus Death Effector Domain Containing Protein MC160 RxDL motifs are not required for its known viral immune evasion functions. Virus Genes, 2017, 53, 522-531.

86. Wang, Y. J.; Patel, B. A.; Anreddy, N.; Zhang, Y. K.; Zhang, G. N.; Alqahtani, S.; Singh, S.; Shukla, S.; Kaddoumi, A.; Ambudkar, S. V.; Talele, T. T.; Chen, Z. S. Thiazole-valine peptidomimetic (TTT-28) antagonizes multidrug resistance in vitro and in vivo by selectively inhibiting the efflux activity of ABCB1. Sci. Rep. 2017, 7, 42106.

85. Talele, T. T. The “cyclopropyl fragment” is a versatile player that frequently appears in preclinical/clinical drug molecules. J. Med. Chem. 2016, 59, 8712-8756.

84. AbdelKhalek, A.; Ashby, C. R.; Patel, B. A.; Talele, T. T.; Seleem, M. N. In vitro antibacterial activity of rhodanine derivatives against pathogenic clinical isolates. PLoS ONE 2016, 11, e0164227.

83. Zhang, Y. K.; Zhang, G. N.; Wang, Y. J.; Patel, B. A.; Talele, T. T.; Yang, D. H.; Chen, Z. S. Bafetinib (INNO-406) reverses multidrug resistance by inhibiting the efflux function of ABCB1 and ABCG2 transporters. Sci. Rep. 2016, 6, 25694.

82. Parikh, T.; Sandhu, H. K.; Talele, T. T.; Serajuddin, A. T. M. Characterization of Solid Dispersion of Itraconazole Prepared by Solubilization in Concentrated Aqueous Solutions of Weak Organic Acids and Drying. Pharm. Res. 2016, 33, 1456-1471.

81. Manvar, D.; Küçükgüzel, I.; Erensoy, G.; Tatar, E.; Deryabasogullari, G.; Reddy, H.; Talele, T. T.; Cevik, O.; Kaushik-Basu, N. Discovery of conjugated thiazolidinone−thiadiazole scaffold as anti-Dengue virus polymerase inhibitors. Biochem. Biophys. Res. Comm. 2016, 469, 743-747.

80. Werner, M. M.; Patel, B.A.; Talele, T.T.; Ashby, C. R.; Li, Z.; Zauhar, R. J.  Dual inhibition of Staphylococcus aureus DNA gyrase and topoisomerase IV activity by phenylalanine-derived (Z)-5-arylmethylidene rhodanines. Bioorg. Med. Chem. 2015, 23, 6125-6137.

79. Çıkla-Süzgün, P.; Kaushik-Basu, N.; Basu, A.; Arora, P.; Talele, T. T.; Durmaz, I.; Çetin-Atalay, R.; Küçükgüzel, Ş. G. Anti-cancer and Anti-hepatitis C virus NS5B polymerase activity of etodolac 1,2,4-triazoles. J. Enz. Inhib. Med. Chem., 2015, 30, 778-785.

78. Cakıra, G.; Küçükgüzel, I.; Guhamazumder, R.; Tatara, E.; Manvar, D.; Basu, A.; Patel, B. A.; Zia, J.; Talele, T. T.; Kaushik-Basu, N. Novel 4-thiazolidinones as non-nucleoside inhibitors of hepatitis C virus NS5B RNA-dependent RNA polymerase. Arch. der Pharm. 2015, 348, 10-22.

77. Tang, S. J.; Chen, L. K.; Wang, F.; Zhang, Y. K.; Huang, Z. C.; To, K. K.; Wang, X. K.; Talele, T. T.; Chen, Z. S.; Chen W. Q.; Fu, L. W. CEP-33779 antagonizes ATP-binding cassette subfamily B member 1 mediated multidrug resistance by inhibiting its transport function. Biochem. Pharmacol. 2014, 91, 144-156.

76. Huang, X. C.; Xiao, X.; Zhang, Y. K.; Talele, T. T.; Salim, A.; Chen, Z. S.; Capon, R. J. Lamellarin O, a pyrrole alkaloid from an Australian marine sponge Ianthella sp., reserves BCRP mediated drug resistance in cancer cells. Marine Drugs 2014, 12, 3818-3837.

75. Wang, D. S.; Patel, A.; Sim, H. M.; Zhang, Y. K.; Wang, Y. J.; Kathawala, R. J.; Zhang, H.; Talele, T. T.; Ambudkar, S. V.; Xu, R. H.; Chen, Z. S. ARRY-334543 reverses multidrug resistance by antagonizing the activity of ATP-binding cassette subfamily G member 2. J. Cell. Biochem. 2014, 115, 1381-1391.

74. Wang, Y. J.; Kathawala, R. J.; Zhang, Y. K.; Patel, A.; Kumar, P.; Fung, K. L.; Shukla, S.; Ambudkar, S. V.; Talele, T. T.; Chen, Z. S. Motesanib (AMG706), a potent multikinase inhibitor, antagonizes multidrug resistance by inhibiting the efflux activity of the ABCB1. Biochem. Pharmacol. 2014, 90, 367-378.

73. Patel, M. R.; Bhatt, A.; Steffen, J. D.; Chergui, A.; Murai, J.; Pommier, Y.; Pascal, J. M.; Trombetta, L. D.; Fronczek, F. R.; Talele, T. T. Discovery and SAR of novel 2,3-dihydrobenzofuran-7-carboxamide and 2,3-dihydrobenzofuran-3(2H)-one-7-carboxamide derivatives as poly(ADP-ribose)polymerase-1 inhibitors. J. Med. Chem. 2014, 57, 5579-5601.

72. Zhang, H.; Zhang, Y. K.; Wang, Y. J.; Kathawala, R. J.; Patel, A.; Zhu, H.; Sodani, K.; Talele, T. T.; Ambudkar, S. V.; Chen, Z. S.; Fu, L. W. WHI-P154 Enhances the Chemotherapeutic Effect of Anticancer Agents in ABCG2-overexpressing Cells. Cancer Sci. 2014, 105, 1071-1078.

71. Wang, D.S.; Patel, A.; Shukla, S.; Zhang, Y. K.; Wang, Y. J.; Kathawala, R. J.; Robey, R. W.; Zhang, L.; Yang, D. H.; Talele, T. T.; Bates, S. E.; Ambudkar, S. V.;  Xu, R. H.; Chen, Z. S. Icotinib antagonizes ABCG2-mediated multidrug resistance, but not the pemetrexed resistance mediated by thymidylate synthase and ABCG2. Oncotarget 2014, 5, 4529-4542.

70. Shukla, S.; Kouanda, A.; Silverton, L.; Talele, T. T.; Ambudkar, S. V. Pharmacophore modeling of Nilotinib as an inhibitor of ABC drug transporters and BCR-ABL kinase using a 3D-QSAR approach. Mol. Pharm. 2014, 11, 2313-2322.

69. Singh, S.; Prasad, N. R.; Chufan, E. E.; Patel, B. A.; Wang, Y. J.; Chen, Z. S.; Ambudkar, S. V.; Talele, T. T. Design and synthesis of human ABCB1 (P-glycoprotein) inhibitors by peptide coupling of diverse chemical scaffolds on carboxyl and amino termini of (S)-valine-derived thiazole amino acid. J. Med. Chem. 2014, 57, 4058-4072.

68. Zhang, H.; Wang, Y. J.; Zhang, Y. K.; Wang, D. S.; Kathawala, R. J.; Patel, A.; Talele, T. T.; Chen, Z. S.; Fu, L. W. AST1306, a potent EGFR inhibitor, antagonizes ATP-binding cassette subfamily G member 2- mediated multidrug resistance. Cancer Lett. 2014, 350, 61-68.

67.  Zhang, H.; Kathawala, R. J.; Wang, Y. J.; Zhang, Y. K.; Patel, A.; Shukla, S.; Robey, R. R.; Talele, T. T.; Ashby, C. R. Jr.; Ambudkar, S. V.; Bates, S. E.;  Fu, L. W.; Chen, Z. S. Linsitinib (OSI-906) antagonizes ATP-binding cassette subfamily G member 2- and subfamily C member 10-mediated drug resistance. Int. J. Biochem. Cell Biol. 2014, 51, 111-119.

66. Kathawala, R. J.; Chen, J. J.; Zhang, Y. K.; Wang, Y. J.; Patel, A.; Wang, D. S.; Talele, T. T.; Ashby, C. R. Jr.; Chen, Z. S. Masitinib antagonizes ATP-binding cassette subfamily G member 2-mediated multidrug resistance. Int. J. Oncol. 2014, 44, 1634-1642.

65. Sodani, K.; Patel, A.; Anreddy, N.; Singh, S.; Yang, D. H.; Kathawala, R. J.; Kumar, P.; Talele, T. T.; Chen, Z. S. Telatinib reverses chemotherapeutic multidrug resistance mediated by ABCG2 efflux transporter in vitro and in vivo. Biochem. Pharmacol. 2014, 89, 52-61.

  64. Shukla, S.; Chufan, E. E.; Singh, S.; Skoumbourdis, A. P.; Kapoor, K.; Boxer, M. B.; Duveau, D.

Y.; Thomas, C. J.; Talele, T. T.; Ambudkar, S. V. Elucidation of the structural basis of interaction of the BCR-ABL kinase inhibitor, nilotinib (Tasigna) with the human ABC drug transporter P-glycoprotein. Leukemia 2014, 28, 961-964.

63. Guo, H.; Zhang, G.; Wang, Y.; Zhang, Y.; Sodani, K.; Talele, T. T.; Ashby Jr., C. R.; Chen, Z. S. β-Elemene, a compound derived from Rihizoma zedoariae, reverses multidrug resistance mediated by ABCB1 transporter. Oncology Reports 2014, 31, 858-866.

62. Singh, S.; Prasad, N. R.; Kapoor, K.; Chufan, E. E.; Patel, B. A.; Ambudkar, S. V.; Talele T. T. Design, synthesis and biological evaluation of (S)-valine thiazole-derived cyclic and non-cyclic peptidomimetic oligomers as modulators of human P-glycoprotein (ABCB1). ChemBioChem 2014, 15, 157-169.

61. Rodina, A.; Patel, P. D.; Kang, Y.; Patel, Y.; Baaklini, I.; Wong, M. J. H.; Taldone, T.; Yan, P.; Yang, C.; Maharaj, R.; Gozman, A.; Patel, M. R.; Patel, H. J.; Chirico, W.; Erdjument-Bromage, H.; Talele, T. T.; Young, J. C.; Chiosis, G. Identification of an Allosteric Pocket on Human Hsp70 Reveals a Mode of Inhibition of This Therapeutically Important Protein. Chemistry & Biology 2013, 20, 1469-1480.

60. Vispute, S. G.; Chen, J. J.; Sun, Y. L.; Sodani, K. S.; Singh, S.; Pan, Y.; Talele, T. T.; Ashby Jr, C. R.; Chen, Z. S. Vemurafenib (PLX4032, Zelboraf®), a BRAF Inhibitor, Modulates ABCB1-, ABCG2-, and ABCC10-Mediated Multidrug Resistance. J. Cancer Res. Updates 2013, 2, 306-317.

59. Chufan, E. E.; Kapoor, K.; Sim, H. M.; Singh, S.; Talele, T. T.; Durell, S. R.; Ambudkar, S. V. Multiple transport-active binding sites are available for a single substrate on human P-glycoprotein (ABCB1). PLoS ONE 2013, 8, e82463.

  58. Küçükgüzel, I.; Satılmış, G.; Gurukumar, K. R.;  Basu, A.; Tatar, E.; Nichols, D. B.; Talele,

  T. T.; Kaushik-Basu, N. 2-Heteroarylimino-5-arylidene-4-thiazolidinones as a new class of non-

 nucleoside inhibitors of HCV NS5B polymerase. Eur. J. Med. Chem. 2013, 69, 931-941.

57. Hannigan, K.; Kulkarni, S. S.; Bdzhola, V. G.; Golub, A. G.; Yarmoluk, S. M.; Talele, T. T. Identification of novel PARP-1 inhibitors by structure-based virtual screening. Bioorg. Med. Chem. Lett. 2013, 23, 5790-5794.

56. Patel, B. A.; Ashby, Jr., C. R.; Hardej, D.; Talele, T. T. The synthesis and SAR study of phenylalanine-derived (Z)-5-arylmethylidene rhodanines as anti-methicillin-resistant Staphylococcus aureus (MRSA) compounds. Bioorg. Med. Chem. Lett. 2013, 23, 5523-5527.

55. Das, T. K.; Dana, D.; Paroly, S. S.; Perumal, S. K., Singh, S.; Jhun, H.; Pendse, J.; Cagan, R. L.;

Talele, T. T.; Kumar, S. Centrosomal kinase Nek2 cooperates with oncogenic pathways to promote metastasis. Oncogenesis 2013, 2, e69.

54. Patel, B. A.; Krishnan, R.; Khadtare, N.; Gurukumar, K. R.; Basu, A.; Arora, P.; Bhatt, A.; Patel,

M. R.; Dana, D.; Kumar, S.; Kaushik-Basu, N.; Talele, T. T. Design and synthesis of L- and D-phenylalanine derived rhodanines with novel C5-arylidenes as inhibitors of HCV NS5B polymerase. Bioorg. Med. Chem. 2013, 21, 3261-3271.

53. Çıkla, P.; Arora, P.; Basu, A.; Talele, T. T.; Kaushik-Basu, N.; Küçükgüzel, S. G. Etodolac

Thiosemicarbazides: a novel class of hepatitis C virus NS5B polymerase inhibitors. Marmara Pharm. J. 2013, 17, 138-146.

52. Küçükgüzel, S. G.; Coşkun, I.; Aydın, S.; Aktay, G.; Gürsoy, S.; Çevik, O.; Özakpınar, O. B.; Özsavc, D.; Şener, A.; Kaushik-Basu, N.; Basu, A.; Talele, T. T. Synthesis and Characterization of Celecoxib Derivatives as Possible Anti-inflammatory, Analgesic, Antioxidant, Anticancer and Anti-HCV agents. Molecules 2013, 18, 3595-3614.

51. Nichols, D. B.; Leão, R. A. C.; Basu, A.; de Moraes, P. F.; Talele, T. T.; Costa, P. R. R.; Kaushik-Basu, N. Evaluation of Coumarin and Neoflavone Derivatives as HCV NS5B Polymerase Inhibitors. Chem. Biol. Drug Des. 2013, 81, 607-614.

50. He, D.; Zhao, X.-Q.; Chen, X.-G.; Fang, Y.; Singh, S.; Talele, T. T.; Qiu, H. –J.; Liang, Y. –J.; Wang, X. –K.; Zhang, G. –Q.; Chen, Z.S.; Fu, L.W. BIRB796, the Inhibitor of p38 Mitogen-Activated Protein Kinase, Enhances the Efficacy of Chemotherapeutic Agents in ABCB1 Overexpression Cells. PLoS ONE 2013, 8, e54181.

49. Tatar, E.; Küçükgüzel, I.; Daelemans, D.; Talele, T. T.; Kaushik-Basu, N.; De Clercq, E.;

Pannecouque, C. Some hydrazones of 2-aroylamino-3-methylbutanohydrazide: Synthesis, molecular modeling studies and identification as stereoselective inhibitors of HIV-1. Archiv der Pharmazie, 2013, 346, 140-153.

48.  Aydin, S.; Kaushik-Basu, N.; Arora, P.; Basu, A.; Nichols, D. B.; Talele, T. T.; Akkurt, M.;

Celik, I.; Buyukgungor, O.; Küçükgüzel, S. G. Microwave assisted synthesis of some novel Flurbiprofen Hydrazide-Hydrazones as Anti-HCV NS5B and Anticancer Agents. Marmara Pharm. J. 2013, 17, 26-34.

47.  Liu, K. J.; He, J. H.; Su, X. D.; Sim, H. M.; Xie, J. D.; Chen, X. G.; Wang, F.; Liang, Y. J.;

Singh, S.; Sodani, K.; Talele, T. T.; Ambudkar, S. V.; Chen, Z. S.; Wu, H. Y.; Fu, L. W. Saracatinib (AZD0530) Is a Potent Modulator of ABCB1-mediated Multidrug Resistance in Vitro and in Vivo. Int. J. Cancer 2013, 132, 224-235.

46. Tiwari, A. K.; Sodani, K.; Dai, C. L.; Abuznait, A. H.; Singh, S.; Xiao, Z. J. Patel, A.; Talele, T.

T.; Fu, L. W.; Kaddoumi, A.; Gallo, J. M.; Chen, Z. S. Nilotinib potentiates anticancer drug sensitivity in murine ABCB1-, ABCG2-, and ABCC10-multidrug resistance xenograft models. Cancer Lett. 2013, 328, 307-317.

45. Golub, A. G.; Gurukumar, K. R.; Basu, A.; Bdzhola, V. G.; Bilokin, Y.; Yarmoluk, S. M.; Lee,

J.-H.; Talele, T. T.; Nichols, D. B.; Kaushik-Basu, N. Discovery of New Scaffolds for Rational Design of HCV NS5B Polymerase Inhibitors. Eur. J. Med. Chem. 2012, 58, 258-264.

44.   Dana, D.; Das, T. K.; Kumar, I.; Morinigo, A. D.; Mark, K. J.; Ramai, D.; Chang, E. J.; Talele, T. T.; Kumar, S. Design, Synthesis and Evaluation of 2-(Arylsulfonyl)oxiranes As Cell Permeable Covalent Inhibitors of Protein Tyrosine Phosphatases. Chem. Biol. Drug Des. 2012, 80, 489-499.

  43. Cheng, C.; Liu, Z.G.; Zhang, H.; Zhong, F. T.; Wang, F.; Liang, Y. J.; Chen, L. K.; Singh, S.;

Chen, J. J.; Talele, T. T.; Chen, Z. S.; Fu, L.W. Enhancing Chemosensitivity in ABCB1- and ABCG2-Overexpressing Cells and Cancer Stem-Like Cells by An Aurora Kinase Inhibitor CCT129202. Mol. Pharm., 2012, 9, 1971-1982.

42. Sun, Y. L.; Kathawala, R. J.; Singh, S.; Zheng, K.; Talele, T. T.; Jiang, W. Q.; Chen, Z. S. Zafirlukast antagonizes ATP-binding cassette subfamily G member 2-mediated multidrug resistance. Anticancer Drugs, 2012, 23, 865-873.

41. Zhao, X.-Q.; Xie, J.-D.; Chen, X.-G.; Sim, H. M.; Zhang, X.; Liang, Y.-J.; Singh, S.; Talele, T. T.; Sun, Y.; Ambudkar, S. V.; Chen, Z. S.; Fu, L.W. Neratinib Reverses ABCB1-Mediated Chemotherapeutic Drug Resistance in vitro, in vivo and ex vivo. Mol. Pharmacol. 2012, 82, 47-58.

40. Sodani, K.; Tiwari, A. K.; Singh, S.; Patel, A.; Xiao, Z-.J.; Chen, J-.G.; Sun, Y-.L.; Talele, T. T.; Chen, Z-. S. GW583340 and GW2974, human EGFR and HER-2 inhibitors, reverse ABCG2- and ABCB1-mediated drug resistance. Biochem. Pharmacol. 2012, 83, 1613-1622.

39. Kulkarni, S.S.; Singh, S.; Shah, J.R.; Low, W.K.; Talele, T. T. Synthesis and SAR optimization of quinazolin-4(3H)-ones as PARP-1 inhibitors. Eur. J. Med. Chem. 2012, 50, 264-273.

38. Patel, M.R.; Pandya, K.G.; Lau-Cam, C.A.; Singh, S.; Pino, M.A.; Billack, B.; Degenhardt, K.; Talele, T.T. Design and synthesis of N-substituted indazole-3-carboxamides as PARP-1 inhibitors. Chem. Biol. Drug Des. 2012, 79, 488-496.

37. Bhatt, A.; Gurukumar, K.R.; Basu, A.; Patel, M.R.; Kaushik-Basu, N.; Talele, T.T. Synthesis and SAR optimization of diketo acid pharmacophore for HCV NS5B polymerase inhibition. Eur. J. Med. Chem. 2011, 46, 5138-5145.

36. Yan, Y.Y.; Zheng, L.S.; Zhang, X.; Chen, L.; Singh, S.; Wang, F.; Zhang, J.; Liang, Y.; Dai, C.;

Gu, L.; Zeng, M.; Talele, T.T.; Chen, Z.; Fu, L. Blockade of Her2/neu binding to Hsp90 by

emodin azide methyl anthraquinone derivative induces proteasomal degradation of Her2/neu.

Mol. Pharmaceutics 2011, 8, 1687-1697.

35. Pandey, N.; Mishra, C.A.; Manvar, D.K.; Upadhyay, A.K.; Talele, T.T.; Comollo, T.W.; Kaushik-Basu, N.; Pandey, V.N. The glutamine side chain at position 91 on the β5a-β5b loop of human immunodeficiency virus type 1 reverse transcriptase is required for stabilizing the dNTP binding pocket. Biochemistry 2011, 50, 8067- 8077.

34. Ding, P. R.; Tiwari, A. K.; Ohnuma, S.; Lee, J.W.K.K.; An, X.; Dai, C.L.; Lu, Q.; Singh, S.; Yang, D.H.; Talele, T. T.; Ambudkar, S. V.; Chen, Z.S. The phosphodiesterase-5 inhibitor vardenafil is a potent inhibitor of ABCB1/P-glycoprotein transporter. PLoS ONE 2011, 6, e19329.

33. Shi, Z.; Tiwari, A. K.; Shukla, S.; Robey, R. W.; Singh, S.; Kim, I.W.; Bates, S.E.; Peng, X.; Abraham, I.; Fu, L. W.; Ambudkar, S. V.; Talele, T. T.; Chen, Z.S. Sildenafil reverses ABCB1- and ABCG2-mediated chemotherapeutic drug resistance. Cancer Res. 2011, 71, 3029-3041.

32. Bhatt, A.; Patel, P. D.; Patel, M. R.; Singh, S.; Lau-Cam, C. A.; Talele, T. T. CoMSIA study on substituted aryl alkanoic acid analogs as GPR40 agonists. Chem. Biol. Drug Des. 2011, 77, 361-372.

31. Hardej, D.; Ashby, C.; Khadtare, N.; Kulkarni, S.S.; Singh, S.; Talele, T. T. The synthesis of phenylalanine-derived C5-substituted rhodanines and their activity against selected methicillin-resistant Staphylococcus aureus (MRSA) strains. Eur. J. Med. Chem. 2010, 45, 5827-5832.

30. Talele, T. T.; Arora, P.; Kulkarni, S. S.; Patel, M. R.; Singh, S.; Chudayeu, M.; Kaushik-Basu, N. Structure-based virtual screening, synthesis and SAR of novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg. Med. Chem. 2010, 18, 4630-4638.

29. Patel, P. D.; Patel, M. R.; Kocsis, B.; Kocsis, E.; Graham, S. M.; Warren, A. R.; Nicholson, S. M.; Billack, B.; Fronczek, F. R.; Talele, T. T. Design, synthesis and determination of antifungal activity of 5(6)-substituted benzotriazoles. Eur. J. Med. Chem. 2010, 45, 2214-2222.

28. Upadhyay, A.; Pandey, N.; Mishra, C.A.; Talele, T. T.; Pandey, V. N. A single deletion at position 134, 135 or 136 in the beta 7-beta 8 loop of the p51 subunit of HIV-1 RT disrupts the formation of heterodimeric enzyme. J. Cellular Biochem. 2010, 109, 598-605.

27. Talele, T. T.; Khedkar, S. A.; Rigby, A. C. Successful Applications of Computer Aided Drug Discovery: Moving Drugs from Concept to the Clinic. Curr. Topics in Med. Chem. 2010, 10, 127-141.

26. Upadhyay, A.; Talele, T. T.; Pandey, V. N. Impact of template-overhang binding region of HIV-1 RT on the binding and orientation of the duplex region of the template-primer. Mol. Cell. Biochem., 2010, 338, 19-33.

25. Talele, T. T.; Upadhyay, A.; Pandey, V. N. Influence of the RNase H Domain of Retroviral

Reverse Transcriptases on the Metal Specificity and Substrate Selection of Their Polymerase Domains.  Virology J. 2009, 6, 159.

24. Patel, P.D.; Talele, T.T.; Fronczek, F.R.; Synthesis and crystallographic characterization of 1-((2-(2,4-difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole: a crucial intermediate for the synthesis of azole antifungal drugs. J. Chem. Crystall. 2009, 39, 923-926.

23. Chen, Y.; Bopda-Waffo, A.; Basu, A.; Krishnan, R.; Silberstein, E.; Taylor, D.; Talele, T.T.; Arora, P.; Kaushik-Basu, N. Characterization of aurintricarboxylic acid as a potent hepatitis C virus replicase inhibitor. Antiviral Chem. Chemother. 2009, 20, 19-36.

22.  Kaur, K.; Talele, T. T. Structure-based CoMFA and CoMSIA study of indolinone inhibitors of PDK1. J. Comput.-Aided Mol. Des. 2009, 23, 25-36.

21. Kaur, K.; Talele, T. T. 3D QSAR studies of 1,3,4-benzotriazepine derivatives as CCK2 receptor antagonists.  J. Mol. Graphics and Model. 2008, 27, 409-420

20.  Talele, T. T. Multiple allosteric pockets of HCV NS5B polymerase and its inhibitors: A structure-based insight.  Curr. Bioactive Compounds 2008, 4, 86-109.

19. Kulkarni, S. S.; Patel, M. R.: Talele, T. T. CoMFA and HQSAR studies on 6,7-dimethoxy-4-pyrrolidylquinazoline derivatives as phosphodiesterase10A inhibitors. Bioorg. Med. Chem. 2008, 16, 3675-3686.

18. Basu, N. K.;  Alain, B-W.; Talele, T. T.; Basu, A.; Paulo, R. R.; Alcides J. M.; Sarafianos, S. G.; Noël, F. Identification and characterization of coumestans as inhibitors of hepatitis C virus replicase. Nucleic Acids Res. 2008, 36, 1482-1496.

17. Basu, N. K.; Alain B-W.; Talele, T. T.; Basu, A.; Chen, Y; and Kucukguzel, S. G. 4-Thiazolidinone: A novel class of hepatitis C virus NS5B polymerase inhibitors. Front. Biosci., 2008, 13, 3857-3868.

16. Talele, T. T. and McLaughlin, M. L. Molecular docking/dynamics studies of Aurora A kinase inhibitors.  J. Mol. Graphics and Modeling 2008, 26, 1213-1222.

15. Patel, P. D.; Patel, M. R.; Basu, N. K.; Talele, T. T. 3D-QSAR and molecular docking studies of benzimidazole derivatives as hepatitis C virus NS5B polymerase inhibitors. J. Chem. Info. Modeling 2008, 48, 42-55.

14. Taldone, T.; Zito, W. S.; Talele, T. T. Inhibition of dipeptidyl peptidase-IV (DPP-IV) by atorvastatin. Bioorg. Med. Chem. Lett. 2008, 18, 479-484.

13. Patel, M. R.; Dimmock, J. R.; Talele, T. T. CoMFA and CoMSIA studies on 1,3-bis(benzylidene)-3,4-dihydro-1H-naphthalen-2-one, 2,6-bis(benzylidene) cyclohexanone and 3,5-bis(benzylidene)-4-piperidone series of cytotoxic compounds. J. Chem. Info. Modeling 2007, 47, 2110-2123.

12. Patel, M. R. and Talele, T. T. 3D-QSAR Studies on malonyl coenzyme A decarboxylase inhibitors. Bioorg. Med. Chem. 2007, 15, 4470-4481.

11. Talele, T. T. and McLaughlin, M. L. Stereospecific synthesis of a-alkyl a,a-diamino-a-carboxylates as core structural units for novel HIV-1 protease inhibitors. Pept. Proc. Am. Pept. Symp., 18th, (Michael Chorev and Tomi K. Sawyer, eds.), 2003, 29-30.

10. Talele, T. T. and McLaughlin, M. L. Asymmetric syntheses of enantiomerically pure a,a-dialkylated glycines as core structural units for novel HIV-1 protease inhibitors. Pept. Proc. Am. Pept. Symp., 18th, (Michael Chorev and Tomi K. Sawyer, eds.), 2003, 135-136.

9. Clark, J. C.; Talele, T. T.; McLaughlin, M. L. Fronczek, F. R. (E)-3-Hexene-1,6-diyl dibenzoate. Acta Crystallographica, 2003, E59, o962-963.

8. Kaushik, N.; Talele, T. T.; Monel, R.; Palumbo, P.; Pandey, V. N. Destabilization of tRNA3Lys from the primer-binding site of HIV-1 genome by anti-A loop polyamide nucleotide analog. Nucleic Acids Res. 2001, 29, 5099-5106.

7. Pandey, P. K.; Kaushik, N.; Talele, T. T.; Yadav, P. N. S.; Pandey, V. N. Insertion of a peptide from MuLV RT into the connection subdomain of HIV-1 RT results in a functionally active chimeric enzyme in monomeric conformation. Mol. Cell. Biochem., 2001, 225, 135-144.

6. Pandey, P. K.; Kaushik, N.; Talele, T. T.; Yadav, P. N. S.; Pandey, V. N. The b7-b8 loop of the p51 subunit in the heterodimeric (p66/p51) human immunodeficiency virus type 1 reverse transcriptase is essential for the catalytic function of the p66 subunit. Biochemistry 2001, 40, 9505-9512.

5. Kaushik, N.; Talele, T. T.; Pandey, P. K.; Harris, D.; Yadav, P. N. S.; Pandey, V. N. Role of glutamine 151 of human immunodeficiency virus type 1 RT in substrate selection as assessed by site directed mutagenesis. Biochemistry, 2000, 39, 2912-2920.

4. Talele T. T.; Kulkarni, S. S.; Kulkarni, V. M. Development of pharmacophore alignment models as input for comparative molecular field analysis (CoMFA) of diverse set of azole antifungal agents. J. Chem. Inf. Comput. Sci., 1999, 39, 958-966.

3. Talele T. T. and Kulkarni, V. M. Three-dimensional quantitative structure-activity relationship (QSAR) and receptor mapping of cytochrome P-45014aDM inhibiting azole antifungal agents. J. Chem. Inf. Comput. Sci., 1999, 39, 204-210.

2. Talele T. T.; Hariprasad, V.; Kulkarni, V. M. Docking analysis of a series of cytochrome P-45014aDM inhibiting azole antifungal agents. Drug Design and Discovery, 1998, 15, 181-190.

1. Hariprasad, V.; Talele T. T.; Kulkarni, V. M. Design and synthesis of a novel series of nonpeptidic HIV-1 protease inhibitors. Pharmacy Pharmacol. Commun., 1998, 4, 365-372.