Article

Structure-based design of xanthine-imidazopyridines and -imidazothiazoles as highly potent and in vivo efficacious tryptophan hydroxylase inhibitors.
Specker, E. ORCID: https://orcid.org/0000-0002-9471-9520, Wesolowski, R. ORCID: https://orcid.org/0009-0002-7228-1051, Schütz, A. ORCID: https://orcid.org/0000-0002-0606-2574, Matthes, S., Mallow, K., Wasinska-Kalwa, M., Winkler, L. ORCID: https://orcid.org/0000-0003-3350-1189, Oder, A., Alenina, N. ORCID: https://orcid.org/0000-0002-6071-5433, Pleimes, D., von Kries, J.P. ORCID: https://orcid.org/0000-0003-4716-4988, Heinemann, U. ORCID: https://orcid.org/0000-0002-8191-3850, Bader, M. ORCID: https://orcid.org/0000-0003-4780-4164 and Nazaré, M. ORCID: https://orcid.org/0000-0002-1602-2330
Journal of Medicinal Chemistry 66 (21): 14866-14896. 9 November 2023

Leveraging ligand affinity and properties: discovery of novel benzamide-type cereblon binders for the design of PROTACs.
Steinebach, C. ORCID: https://orcid.org/0000-0001-5638-1955, Bricelj, A., Murgai, A., Sosič, I. ORCID: https://orcid.org/0000-0002-3370-4587, Bischof, L., Ng, Y.L.D., Heim, C., Maiwald, S. ORCID: https://orcid.org/0000-0002-7235-2748, Proj, M. ORCID: https://orcid.org/0000-0003-4043-9686, Voget, R., Feller, F. ORCID: https://orcid.org/0009-0007-1820-772X, Košmrlj, J. ORCID: https://orcid.org/0000-0002-3533-0419, Sapozhnikova, V., Schmidt, A., Zuleeg, M.R., Lemnitzer, P., Mertins, P. ORCID: https://orcid.org/0000-0002-2245-528X, Hansen, F.K. ORCID: https://orcid.org/0000-0001-9765-5975, Gütschow, M. ORCID: https://orcid.org/0000-0002-9376-7897, Krönke, J. and Hartmann, M.D. ORCID: https://orcid.org/0000-0001-6937-5677
Journal of Medicinal Chemistry 66 (21): 14513-14543. 9 November 2023

Structure-based design of xanthine-benzimidazole derivatives as novel and potent tryptophan hydroxylase inhibitors.
Specker, E. ORCID: https://orcid.org/0000-0002-9471-9520, Matthes, S., Wesolowski, R. ORCID: https://orcid.org/0009-0002-7228-1051, Schütz, A. ORCID: https://orcid.org/0000-0002-0606-2574, Grohmann, M., Alenina, N. ORCID: https://orcid.org/0000-0002-6071-5433, Pleimes, D., Mallow, K., Neuenschwander, M. ORCID: https://orcid.org/0000-0002-3114-7975, Gogolin, A., Weise, M., Pfeifer, J., Ziebart, N., Heinemann, U. ORCID: https://orcid.org/0000-0002-8191-3850, von Kries, J.P. ORCID: https://orcid.org/0000-0003-4716-4988, Nazaré, M. ORCID: https://orcid.org/0000-0002-1602-2330 and Bader, M. ORCID: https://orcid.org/0000-0003-4780-4164
Journal of Medicinal Chemistry 65 (16): 11126-11149. 25 August 2022

Development of a 1,2,4-triazole-based lead tankyrase inhibitor: part II.
Leenders, R.G.G. ORCID: https://orcid.org/0000-0001-6140-5405, Brinch, S.A., Sowa, S.T., Amundsen-Isaksen, E., Galera-Prat, A., Murthy, S., Aertssen, S., Smits, J.N., Nieczypor, P., Damen, E., Wegert, A., Nazaré, M. ORCID: https://orcid.org/0000-0002-1602-2330, Lehtiö, L. ORCID: https://orcid.org/0000-0001-7250-832X, Waaler, J. ORCID: https://orcid.org/0000-0002-8501-6225 and Krauss, S.
Journal of Medicinal Chemistry 64 (24): 17936-17949. 23 December 2021

Enhanced properties of a benzimidazole benzylpyrazole lysine demethylase inhibitor: mechanism-of-action, binding site analysis, and activity in cellular models of prostate cancer.
Carter, D.M. ORCID: https://orcid.org/0000-0002-2517-8599, Specker, E. ORCID: https://orcid.org/0000-0002-9471-9520, Malecki, P.H. ORCID: https://orcid.org/0000-0003-1499-8310, Przygodda, J., Dudaniec, K., Weiss, M.S., Heinemann, U. ORCID: https://orcid.org/0000-0002-8191-3850, Nazaré, M. ORCID: https://orcid.org/0000-0002-1602-2330 and Gohlke, U.
Journal of Medicinal Chemistry 64 (19): 14266-14282. 14 October 2021

A versatile sub-nanomolar fluorescent ligand enables NanoBRET binding studies and single-molecule microscopy at the histamine H(3) receptor.
Rosier, N., Grätz, L., Schihada, H. ORCID: https://orcid.org/0000-0002-1889-1636, Möller, J., Işbilir, A., Humphrys, L.J., Nagl, M., Seibel, U., Lohse, M.J. ORCID: https://orcid.org/0000-0002-0599-3510 and Pockes, S. ORCID: https://orcid.org/0000-0002-2211-9868
Journal of Medicinal Chemistry 64 (15): 11695-11708. 12 August 2021

From pyrazolones to azaindoles: evolution of active-site SHP2 inhibitors based on scaffold hopping and bioisosteric replacement.
Mostinski, Y., Heynen, G.J.J.E. ORCID: https://orcid.org/0000-0001-7721-5710, López-Alberca, M.P., Paul, J., Miksche, S., Radetzki, S. ORCID: https://orcid.org/0000-0003-2688-2868, Schaller, D., Shanina, E., Seyffarth, C., Kolomeets, Y., Ziebart, N., de Schryver, J., Oestreich, S., Neuenschwander, M. ORCID: https://orcid.org/0000-0002-3114-7975, Roske, Y. ORCID: https://orcid.org/0000-0001-6237-388X, Heinemann, U. ORCID: https://orcid.org/0000-0002-8191-3850, Rademacher, C., Volkamer, A. ORCID: https://orcid.org/0000-0002-3760-580X, von Kries, J.P. ORCID: https://orcid.org/0000-0003-4716-4988, Birchmeier, W. ORCID: https://orcid.org/0000-0003-1173-0829 and Nazaré, M. ORCID: https://orcid.org/0000-0002-1602-2330
Journal of Medicinal Chemistry 63 (23): 14780-14804. 10 December 2020

Preclinical lead optimization of a 1,2,4-triazole based tankyrase inhibitor.
Waaler, J., Leenders, R., Sowa, S.T., Alam Brinch, S., Lycke, M., Nieczypor, P., Aertssen, S., Murthy, S., Galera-Prat, A., Damen, E., Wegert, A., Nazare, M. ORCID: https://orcid.org/0000-0002-1602-2330, Lehtiö, L. and Krauss, S.
Journal of Medicinal Chemistry 63 (13): 6834-6846. 9 July 2020

Development of robust 17(R),18(S)-epoxyeicosatetraenoic acid (17,18-EEQ) analogues as potential clinical antiarrhythmic agents.
Adebesin, A.M. ORCID: https://orcid.org/0000-0002-2865-2532, Wesser, T. ORCID: https://orcid.org/0000-0001-5076-7603, Vijaykumar, J. ORCID: https://orcid.org/0000-0002-3570-2307, Konkel, A. ORCID: https://orcid.org/0000-0003-4875-2204, Paudyal, M. ORCID: https://orcid.org/0000-0003-1025-395X, Lossie, J. ORCID: https://orcid.org/0000-0003-1210-4520, Zhu, C. ORCID: https://orcid.org/0000-0002-4548-047X, Westphal, C. ORCID: https://orcid.org/0000-0002-1480-2448, Puli, N. ORCID: https://orcid.org/0000-0001-8104-6008, Fischer, R. ORCID: https://orcid.org/0000-0002-4828-2882, Schunck, W.H. ORCID: https://orcid.org/0000-0001-7965-7731 and Falck, J. ORCID: https://orcid.org/0000-0002-9219-7845
Journal of Medicinal Chemistry 62 (22): 10124-10143. 27 November 2019

Discovery of a novel series of tankyrase inhibitors by a hybridization approach.
Anumala, U.R., Waaler, J., Nkizinkiko, Y., Ignatev, A., Lazarow, K., Lindemann, P. ORCID: https://orcid.org/0000-0002-8224-3764, Olsen, P.A., Murthy, S., Obaji, E., Majouga, A.G., Leonov, S., von Kries, J.P. ORCID: https://orcid.org/0000-0003-4716-4988, Lehtiö, L. ORCID: https://orcid.org/0000-0001-7250-832X, Krauss, S. and Nazaré, M. ORCID: https://orcid.org/0000-0002-1602-2330
Journal of Medicinal Chemistry 60 (24): 10013-10025. 28 December 2017

Ethyl 2-((4-chlorophenyl)amino)thiazole-4-carboxylate and derivatives are potent inducers of Oct3/4.
Cheng, X., Yoshida, H., Raoofi, D., Saleh, S., Alborzinia, H., Wenke, F., Goehring, A., Reuter, S., Mah, N. ORCID: https://orcid.org/0000-0002-1240-8076, Fuchs, H.R., Andrade-Navarro, M.A. ORCID: https://orcid.org/0000-0001-6650-1711, Adjaye, J., Gul, S., Utikal, J., Mrowka, R. and Woelfl, S.
Journal of Medicinal Chemistry 58 (1): 5742-5750. 13 August 2015

Identification of 2-[4-[(4-methoxyphenyl)methoxy]-phenyl]acetonitrile and derivatives as potent Oct3/4 inducers.
Cheng, X., Dimou, E., Alborzinia, H., Wenke, F., Goehring, A., Reuter, S., Mah, N. ORCID: https://orcid.org/0000-0002-1240-8076, Fuchs, H., Andrade-Navarro, M.A. ORCID: https://orcid.org/0000-0001-6650-1711, Adjaye, J., Gul, S., Harms, C., Utikal, J., Klipp, E., Mrowka, R. and Woelfl, S.
Journal of Medicinal Chemistry 58 (12): 4976-4983. 25 June 2015

Structural characterization of amorfrutins bound to the peroxisome proliferator-activated receptor γ.
de Groot, J.C., Weidner, C., Krausze, J., Kawamoto, K., Schroeder, F.C., Sauer, S. ORCID: https://orcid.org/0000-0002-4794-3693 and Büssow, K.
Journal of Medicinal Chemistry 56 (4): 1535-1543. 28 February 2013

17(R),18(S)-epoxyeicosatetraenoic acid, a potent eicosapentaenoic acid (EPA) derived regulator of cardiomyocyte contraction: structure-activity relationships and stable analogues.
Falck, J.R., Wallukat, G., Puli, N., Goli, M., Arnold, C., Konkel, A. ORCID: https://orcid.org/0000-0003-4875-2204, Rothe, M., Fischer, R., Mueller, D.N. ORCID: https://orcid.org/0000-0003-3650-5644 and Schunck, W.H. ORCID: https://orcid.org/0000-0001-7965-7731
Journal of Medicinal Chemistry 54 (12): 4109-4118. 23 June 2011

Elucidation of a structural basis for the inhibitor-driven, p62 (SQSTM1)-dependent intracellular redistribution of cAMP phosphodiesterase-4A4 (PDE4A4).
Day, J.P., Lindsay, B., Riddell, T., Jiang, Z., Allcock, R.W., Abraham, A., Sookup, S., Christian, F., Bogum, J., Martin, E.K., Rae, R.L., Anthony, D., Rosair, G.M., Houslay, D.M., Huston, E., Baillie, G.S., Klussmann, E. ORCID: https://orcid.org/0000-0003-4004-5003, Houslay, M.D. and Adams, D.R.
Journal of Medicinal Chemistry 54 (9): 3331-3347. 12 May 2011

Synthesis and biological evaluation of spin-labeled alkylphospholipid analogs.
Mravljak, J., Zeisig, R. and Pecar, S.
Journal of Medicinal Chemistry 48 (20): 6393-6399. 6 October 2005

Quinols as novel therapeutic agents. 2.(1) 4-(1-arylsulfonylindol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-ones and related agents as potent and selective antitumor agents.
Berry, J.M., Bradshaw, T.D., Fichtner, I., Ren, R., Schwalbe, C.H., Wells, G., Chew, E.H., Stevens, M.F. and Westwell, A.D.
Journal of Medicinal Chemistry 48 : 639-644. 27 January 2005

PDBLIG: classification of small molecular protein binding in the Protein Data Bank.
Chalk, A.J., Worth, C.L. ORCID: https://orcid.org/0000-0002-1796-9606, Overington, J.P. and Chan, A.W.E.
Journal of Medicinal Chemistry 47 (15): 3807-3816. 15 July 2004

Probing the cysteine-34 position of endogenous serum albumin with thiol-binding doxorubicin derivatives. Improved efficacy of an acid-sensitive doxorubicin derivative with specific albumin-binding properties compared to that of the parent compound.
Kratz, F., Warnecke, A., Scheuermann, K., Stockmar, C., Schwab, J., Lazar, P., Drueckes, P., Esser, N., Drevs, J., Rognan, D., Bissantz, C., Hinderling, C., Folkers, G., Fichtner, I. and Unger, C.
Journal of Medicinal Chemistry 45 (25): 5523-5533. 5 December 2002

Newly synthesized L-enantiomers of 3'-fluoro-modified beta-2'- deoxyribonucleoside 5'-triphosphates inhibit hepatitis B DNA polymerases but not the five cellular DNA polymerases alpha, beta, gamma, delta and epsilon nor HIV-1 reverse transcriptase.
von Janta-Lipinski, M., Costisella, B., Ochs, H., Huebscher, U., Hafkemeyer, P. and Matthes, E.
Journal of Medicinal Chemistry 41 : 2040-2046. 1 January 1998

Antitumor benzothiazoles. 3. Synthesis of 2-(4-aminophenyl)benzothiazoles and evaluation of their activities against breast cancer cell lines in vitro and in vivo.
Shi, D.F., Bradshaw, T.D., Wrigley, S., McCall, C.J., Lelieveld, P., Fichtner, I. and Stevens, M.F.G.
Journal of Medicinal Chemistry 39 : 3375-3384. 1 January 1996