SCOPUS 정보 검색 플랫폼

Bioorganic and Medicinal Chemistry Letters

Volumn 22, Issue 15, 2012, Pages 4946-4950

Discovery of MEK/PI3K dual inhibitor via structure-based virtual screening

(3) Park, Hwangseo a Lee, Soyoung b Hong, Sungwoo b

a Sejong University (South Korea)

b Korea Advanced Institute of Science and Technology (KAIST) (South Korea)

Author keywords

Anticancer; Docking; Drug discovery; MEK PI3K dual inhibitor; Virtual screening

Indexed keywords

MITOGEN ACTIVATED PROTEIN KINASE KINASE 1; MITOGEN ACTIVATED PROTEIN KINASE KINASE 2; MITOGEN ACTIVATED PROTEIN KINASE KINASE INHIBITOR; PHOSPHATIDYLINOSITOL 3 KINASE INHIBITOR; PROTEIN KINASE INHIBITOR; UNCLASSIFIED DRUG;

ANTINEOPLASTIC ACTIVITY; ARTICLE; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME INHIBITION; IC 50; PHYSICAL CHEMISTRY; STRUCTURE ACTIVITY RELATION; VIRTUAL REALITY;

ADENOSINE TRIPHOSPHATE; ANTINEOPLASTIC AGENTS; BINDING SITES; DRUG EVALUATION, PRECLINICAL; EXTRACELLULAR SIGNAL-REGULATED MAP KINASES; HUMANS; MODELS, MOLECULAR; PHOSPHATIDYLINOSITOL 3-KINASES; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN STRUCTURE, TERTIARY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84863986613 PISSN: 0960894X EISSN: 14643405 Source Type: Journal
DOI: 10.1016/j.bmcl.2012.06.041 Document Type: Article

Times cited : (11)

References (33)

1
- 10344258041
- J.S. Sebolt-Leopold, and R. Herrera Nat. Rev. Cancer 4 2004 937
- (2004) Nat. Rev. Cancer , vol.4 , pp. 937
- Sebolt-Leopold, J.S.¹ Herrera, R.²

2
- 44649089666
- J.A. McCubrey, M. Milella, A. Tafuri, A.M. Martelli, P. Lunghi, A. Bonati, M. Cervello, J.T. Lee, and L.S. Steelman Curr. Opin. Invest. Drugs 9 2008 614
- (2008) Curr. Opin. Invest. Drugs , vol.9 , pp. 614
- McCubrey, J.A.¹ Milella, M.² Tafuri, A.³ Martelli, A.M.⁴ Lunghi, P.⁵ Bonati, A.⁶ Cervello, M.⁷ Lee, J.T.⁸ Steelman, L.S.⁹

3
- 34248591612
- P.J. Roberts, and C.J. Der Oncogene 26 2007 3291
- (2007) Oncogene , vol.26 , pp. 3291
- Roberts, P.J.¹ Der, C.J.²

4
- 77949464718
- C. Frémin, and S. Meloche J. Hematol. Oncol. 3 2010 8
- (2010) J. Hematol. Oncol. , vol.3 , pp. 8
- Frémin, C.¹ Meloche, S.²

5
- 65249090229
- T.O. Fischmann, C.K. Smith, T.W. Mayhood, J.E. Myers, P. Reichert, A. Mannarino, D. Carr, H. Zhu, J. Wong, R.S. Yang, H.V. Le, and V.S. Madison Biochemistry 48 2009 2661
- (2009) Biochemistry , vol.48 , pp. 2661
- Fischmann, T.O.¹ Smith, C.K.² Mayhood, T.W.³ Myers, J.E.⁴ Reichert, P.⁵ Mannarino, A.⁶ Carr, D.⁷ Zhu, H.⁸ Wong, J.⁹ Yang, R.S.¹⁰ Le, H.V.¹¹ Madison, V.S.¹²

6
- 35348843516
- J.A. Spicer, G.W. Rewcastle, M.D. Kaufman, S.L. Black, M.S. Plummer, W.A. Denny, J. Quin, A.B. Shahripour, S.D. Barrett, C.E. Whitehead, J.B. Milbank, J.F. Ohren, R.C. Gowan, C. Omer, H.S. Camp, N. Esmaeil, K. Moore, J.S. Sebolt-Leopold, S. Pryzbranowski, R.L. Merriman, D.F. Ortwine, J.S. Warmus, C.M. Flamme, A.G. Pavlovsky, and H. Tecle J. Med. Chem. 50 2007 5090
- (2007) J. Med. Chem. , vol.50 , pp. 5090
- Spicer, J.A.¹ Rewcastle, G.W.² Kaufman, M.D.³ Black, S.L.⁴ Plummer, M.S.⁵ Denny, W.A.⁶ Quin, J.⁷ Shahripour, A.B.⁸ Barrett, S.D.⁹ Whitehead, C.E.¹⁰ Milbank, J.B.¹¹ Ohren, J.F.¹² Gowan, R.C.¹³ Omer, C.¹⁴ Camp, H.S.¹⁵ Esmaeil, N.¹⁶ Moore, K.¹⁷ Sebolt-Leopold, J.S.¹⁸ Pryzbranowski, S.¹⁹ Merriman, R.L.²⁰ more..

7
- 15744380263
- J.F. Ohren, H. Chen, A. Pavlovsky, C. Whitehead, E. Zhang, P. Kuffa, C. Yan, P. McConnell, C. Spessard, C. Banotai, W.T. Mueller, A. Delaney, C. Omer, J. Sebolt-Leopold, D.T. Dudley, I.K. Leung, C. Flamme, J. Warmus, M. Kaufman, S. Barrett, H. Tecle, and C.A. Hasemann Nat. Struct. Mol. Biol. 11 2004 1192
- (2004) Nat. Struct. Mol. Biol. , vol.11 , pp. 1192
- Ohren, J.F.¹ Chen, H.² Pavlovsky, A.³ Whitehead, C.⁴ Zhang, E.⁵ Kuffa, P.⁶ Yan, C.⁷ McConnell, P.⁸ Spessard, C.⁹ Banotai, C.¹⁰ Mueller, W.T.¹¹ Delaney, A.¹² Omer, C.¹³ Sebolt-Leopold, J.¹⁴ Dudley, D.T.¹⁵ Leung, I.K.¹⁶ Flamme, C.¹⁷ Warmus, J.¹⁸ Kaufman, M.¹⁹ Barrett, S.²⁰ Tecle, H.²¹ Hasemann, C.A.²² more..

8
- 57749119314
- H. Tecle, J. Shao, Y. Li, M. Kothe, S. Kazmirski, J. Penzotti, Y.H. Ding, J. Ohren, D. Moshinsky, R. Coli, N. Jhawar, E. Bora, S. Jacques-O'Hagan, and J. Wu Bioorg. Med. Chem. Lett. 19 2009 226
- (2009) Bioorg. Med. Chem. Lett. , vol.19 , pp. 226
- Tecle, H.¹ Shao, J.² Li, Y.³ Kothe, M.⁴ Kazmirski, S.⁵ Penzotti, J.⁶ Ding, Y.H.⁷ Ohren, J.⁸ Moshinsky, D.⁹ Coli, R.¹⁰ Jhawar, N.¹¹ Bora, E.¹² Jacques-O'Hagan, S.¹³ Wu, J.¹⁴

9
- 79952360230
- Y. Isshiki, Y. Kohchi, H. Iikura, Y. Matsubara, K. Asoh, T. Murata, M. Kohchi, E. Mizuguchi, S. Tsujii, K. Hattori, T. Miura, Y. Yoshimura, S. Aida, M. Miwa, R. Saitoh, N. Murao, H. Okabe, C. Belunis, C. Janson, C. Lukacs, V. Schuck, and N. Shimma Bioorg. Med. Chem. Lett. 21 2011 1795
- (2011) Bioorg. Med. Chem. Lett. , vol.21 , pp. 1795
- Isshiki, Y.¹ Kohchi, Y.² Iikura, H.³ Matsubara, Y.⁴ Asoh, K.⁵ Murata, T.⁶ Kohchi, M.⁷ Mizuguchi, E.⁸ Tsujii, S.⁹ Hattori, K.¹⁰ Miura, T.¹¹ Yoshimura, Y.¹² Aida, S.¹³ Miwa, M.¹⁴ Saitoh, R.¹⁵ Murao, N.¹⁶ Okabe, H.¹⁷ Belunis, C.¹⁸ Janson, C.¹⁹ Lukacs, C.²⁰ Schuck, V.²¹ Shimma, N.²² more..

10
- 43749103335
- A.A. Adjei, R.B. Cohen, W. Franklin, C. Morris, D. Wilson, J.R. Molina, L.J. Hanson, L. Gore, L. Chow, S. Leong, L. Maloney, G. Gordon, H. Simmons, A. Marlow, K. Litwiler, S. Brown, G. Poch, K. Kane, J. Haney, and S.G. Eckhardt J. Clin. Oncol. 26 2008 2139
- (2008) J. Clin. Oncol. , vol.26 , pp. 2139
- Adjei, A.A.¹ Cohen, R.B.² Franklin, W.³ Morris, C.⁴ Wilson, D.⁵ Molina, J.R.⁶ Hanson, L.J.⁷ Gore, L.⁸ Chow, L.⁹ Leong, S.¹⁰ Maloney, L.¹¹ Gordon, G.¹² Simmons, H.¹³ Marlow, A.¹⁴ Litwiler, K.¹⁵ Brown, S.¹⁶ Poch, G.¹⁷ Kane, K.¹⁸ Haney, J.¹⁹ Eckhardt, S.G.²⁰ more..

11
- 0036837671
- A.M. Delaney, J.A. Printen, H. Chen, E.B. Fauman, and D.T. Dudley Mol. Cell Biol. 22 2002 7593
- (2002) Mol. Cell Biol. , vol.22 , pp. 7593
- Delaney, A.M.¹ Printen, J.A.² Chen, H.³ Fauman, E.B.⁴ Dudley, D.T.⁵

12
- 79954576977
- H. Abe, S. Kikuchi, K. Hayakawa, T. Iida, N. Nagahashi, K. Maeda, J. Sakamoto, N. Matsumoto, T. Miura, K. Matsumura, N. Seki, T. Inaba, H. Kawasaki, T. Yamaguchi, R. Kakefuda, T. Nanayama, H. Kurachi, Y. Hori, T. Yoshida, J. Kakegawa, Y. Watanabe, A.G. Gilmartin, M.C. Richter, K.G. Moss, and S.G. Laquerre ACS Med. Chem. Lett. 2 2011 320
- (2011) ACS Med. Chem. Lett. , vol.2 , pp. 320
- Abe, H.¹ Kikuchi, S.² Hayakawa, K.³ Iida, T.⁴ Nagahashi, N.⁵ Maeda, K.⁶ Sakamoto, J.⁷ Matsumoto, N.⁸ Miura, T.⁹ Matsumura, K.¹⁰ Seki, N.¹¹ Inaba, T.¹² Kawasaki, H.¹³ Yamaguchi, T.¹⁴ Kakefuda, R.¹⁵ Nanayama, T.¹⁶ Kurachi, H.¹⁷ Hori, Y.¹⁸ Yoshida, T.¹⁹ Kakegawa, J.²⁰ more..

13
- 79951722555
- Q. Dong, D.R. Dougan, X. Gong, P. Halkowycz, B. Jin, T. Kanouni, S.M. O'Connell, N. Scorah, L. Shi, M.B. Wallace, and F. Zhou Bioorg. Med. Chem. Lett. 21 2011 1315
- (2011) Bioorg. Med. Chem. Lett. , vol.21 , pp. 1315
- Dong, Q.¹ Dougan, D.R.² Gong, X.³ Halkowycz, P.⁴ Jin, B.⁵ Kanouni, T.⁶ O'Connell, S.M.⁷ Scorah, N.⁸ Shi, L.⁹ Wallace, M.B.¹⁰ Zhou, F.¹¹

14
- 68049085887
- K.P. Hoeflich, C. O'Brien, Z. Boyd, G. Cavet, S. Guerrero, K. Jung, T. Januario, H. Savage, E. Punnoose, T. Truong, W. Zhou, L. Berry, L. Murray, L. Amler, M. Belvin, L.S. Friedman, and M.R. Lackner Clin. Cancer Res. 15 2009 4649
- (2009) Clin. Cancer Res. , vol.15 , pp. 4649
- Hoeflich, K.P.¹ O'Brien, C.² Boyd, Z.³ Cavet, G.⁴ Guerrero, S.⁵ Jung, K.⁶ Januario, T.⁷ Savage, H.⁸ Punnoose, E.⁹ Truong, T.¹⁰ Zhou, W.¹¹ Berry, L.¹² Murray, L.¹³ Amler, L.¹⁴ Belvin, M.¹⁵ Friedman, L.S.¹⁶ Lackner, M.R.¹⁷

15
- 0032939345
- B.K. Shoichet, A.R. Leach, and I.D. Kuntz Proteins 34 1999 4
- (1999) Proteins , vol.34 , pp. 4
- Shoichet, B.K.¹ Leach, A.R.² Kuntz, I.D.³

16
- 70350126139
- D. Mandelker, S.B. Gabelli, O. Schmidt-Kittler, J. Zhu, I. Cheong, C.H. Huang, K.W. Kinzler, B. Vogelstein, and L.M. Amzel Proc. Natl. Acad. Sci. U.S.A. 106 2009 16996
- (2009) Proc. Natl. Acad. Sci. U.S.A. , vol.106 , pp. 16996
- Mandelker, D.¹ Gabelli, S.B.² Schmidt-Kittler, O.³ Zhu, J.⁴ Cheong, I.⁵ Huang, C.H.⁶ Kinzler, K.W.⁷ Vogelstein, B.⁸ Amzel, L.M.⁹

17
- 85013004174
- G.A. Jeffrey J. Chem. Educ. 76 1999 759
- (1999) J. Chem. Educ. , vol.76 , pp. 759
- Jeffrey, G.A.¹

18
- 0031024171
- C.A. Lipinski, F. Lombardo, B.W. Dominy, and P.J. Feeney Adv. Drug Deliver. Rev. 23 1997 3 25
- (1997) Adv. Drug Deliver. Rev. , vol.23 , pp. 3-25
- Lipinski, C.A.¹ Lombardo, F.² Dominy, B.W.³ Feeney, P.J.⁴

19
- 49149147973
- J. Gasteiger, and M. Marsili Tetrahedron 36 1980 3219
- (1980) Tetrahedron , vol.36 , pp. 3219
- Gasteiger, J.¹ Marsili, M.²

20
- 11644261806
- G.M. Morris, D.S. Goodsell, R.S. Halliday, R. Huey, W.E. Hart, R.K. Belew, and A.J. Olson J. Comput. Chem. 19 1998 1639
- (1998) J. Comput. Chem. , vol.19 , pp. 1639
- Morris, G.M.¹ Goodsell, D.S.² Halliday, R.S.³ Huey, R.⁴ Hart, W.E.⁵ Belew, R.K.⁶ Olson, A.J.⁷

21
- 33750083590
- H. Park, J. Lee, and S. Lee Proteins 65 2006 549
- (2006) Proteins , vol.65 , pp. 549
- Park, H.¹ Lee, J.² Lee, S.³

22
- 84872213226
- 50 mode with 3-fold serial dilution starting at 10 μM.
- 50 mode with 3-fold serial dilution starting at 10 μM.

23
- 84863983851
- S. Shankar, Q. Chen, and R.K. Srivastava J. Mol. Signal. 20 2008 3
- (2008) J. Mol. Signal. , vol.20 , pp. 3
- Shankar, S.¹ Chen, Q.² Srivastava, R.K.³

24
- 67649438633
- R. Dai, R. Chen, and H. Li Int. J. Oncol. 34 2009 1749
- (2009) Int. J. Oncol. , vol.34 , pp. 1749
- Dai, R.¹ Chen, R.² Li, H.³

25
- 77956280407
- E. Halilovic, Q.B. She, Q. Ye, R. Pagliarini, W.R. Sellers, D.B. Solit, and N. Rosen Cancer Res. 70 2010 6804
- (2010) Cancer Res. , vol.70 , pp. 6804
- Halilovic, E.¹ She, Q.B.² Ye, Q.³ Pagliarini, R.⁴ Sellers, W.R.⁵ Solit, D.B.⁶ Rosen, N.⁷

26
- 0036682301
- B. Nagar, W. Bornmann, P. Pellicena, T. Schindler, D.R. Veach, W.T. Miller, B. Clarkson, and J. Kuriyan Cancer Res. 62 2002 4236
- (2002) Cancer Res. , vol.62 , pp. 4236
- Nagar, B.¹ Bornmann, W.² Pellicena, P.³ Schindler, T.⁴ Veach, D.R.⁵ Miller, W.T.⁶ Clarkson, B.⁷ Kuriyan, J.⁸

27
- 0142026209
- S. Kumar, J. Boehm, and J.C. Lee Nat. Rev. Drug Discov. 2 2003 717
- (2003) Nat. Rev. Drug Discov. , vol.2 , pp. 717
- Kumar, S.¹ Boehm, J.² Lee, J.C.³

28
- 79953777821
- O. Kim, Y. Jeong, H. Lee, S.-S. Hong, and S. Hong J. Med. Chem. 54 2011 2455
- (2011) J. Med. Chem. , vol.54 , pp. 2455
- Kim, O.¹ Jeong, Y.² Lee, H.³ Hong, S.-S.⁴ Hong, S.⁵

29
- 33847405723
- H. Park, and J.H. Jeon Phys. Rev. 75 2007 021916
- (2007) Phys. Rev. , vol.75 , pp. 021916
- Park, H.¹ Jeon, J.H.²

30
- 0027804108
- P.F.W. Stouten, C. Frömmel, H. Nakamura, and C. Sander Mol. Simul. 10 1993 97
- (1993) Mol. Simul. , vol.10 , pp. 97
- Stouten, P.F.W.¹ Frömmel, C.² Nakamura, H.³ Sander, C.⁴

31
- 34247206482
- H. Kang, H. Choi, and H. Park J. Chem. Inf. Model. 47 2007 509
- (2007) J. Chem. Inf. Model. , vol.47 , pp. 509
- Kang, H.¹ Choi, H.² Park, H.³

32
- 80051695187
- H. Park, J.Y. Jeon, S.Y. Kim, D.G. Jeong, and S.E. Ryu J. Comput. Aided Mol. Des. 25 2011 469
- (2011) J. Comput. Aided Mol. Des. , vol.25 , pp. 469
- Park, H.¹ Jeon, J.Y.² Kim, S.Y.³ Jeong, D.G.⁴ Ryu, S.E.⁵

33
- 82355168414
- H. Park, O. Chi, J. Kim, and S. Hong J. Chem. Inf. Model. 51 2011 2986
- (2011) J. Chem. Inf. Model. , vol.51 , pp. 2986
- Park, H.¹ Chi, O.² Kim, J.³ Hong, S.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.