Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors.

Autor: Devi B; Department of Pharmaceutical Engineering & Technology, Indian Institute of Technology (B.H.U.), Varanasi, UP, 221005, India., Vasishta SS; Department of Chemical Engineering & Technology, Indian Institute of Technology (B.H.U.), Varanasi, UP, 221005, India., Das B; Department of Pharmaceutical Engineering & Technology, Indian Institute of Technology (B.H.U.), Varanasi, UP, 221005, India., Baidya ATK; Department of Pharmaceutical Engineering & Technology, Indian Institute of Technology (B.H.U.), Varanasi, UP, 221005, India., Rampa RS; Department of Pharmaceutical Engineering & Technology, Indian Institute of Technology (B.H.U.), Varanasi, UP, 221005, India., Mahapatra MK; Kanak Manjari Institute of Pharmaceutical Sciences, Rourkela, Odisha, 769015, India., Kumar R; Department of Pharmaceutical Engineering & Technology, Indian Institute of Technology (B.H.U.), Varanasi, UP, 221005, India. rajnish.phe@iitbhu.ac.in.

Publikováno v: Molecular diversity [Mol Divers] 2024 Apr; Vol. 28 (2), pp. 649-669. Date of Electronic Publication: 2023 Feb 06.

Synthesis and in vitro anticancer potential of new thiazole-containing derivatives of rhodanine.

Autor: Los, Oleksandr V.¹ (AUTHOR), Sinenko, Vitalii O.¹ (AUTHOR), Kobzar, Oleksandr L.¹ (AUTHOR), Zhirnov, Victor V.¹ (AUTHOR), Vovk, Andriy I.¹ (AUTHOR), Brovarets, Volodymyr S.¹ (AUTHOR) brovarets@bpci.kiev.ua

Publikováno v: Chemistry of Heterocyclic Compounds. Jul2023, Vol. 59 Issue 6/7, p484-493. 10p.

Combined inhibition of Janus kinase 1/2 for the treatment of JAK2V617F-driven neoplasms: selective effects on mutant cells and improvements in measures of disease severity.

Autor: Liu PC; Departments of Applied Technology, Preclinical Biology, In vitro Biology, and Medicinal Chemistry, Incyte Corporation, Wilmington, DE 19880, USA., Caulder E, Li J, Waeltz P, Margulis A, Wynn R, Becker-Pasha M, Li Y, Crowgey E, Hollis G, Haley P, Sparks RB, Combs AP, Rodgers JD, Burn TC, Vaddi K, Fridman JS

Publikováno v: Clinical cancer research : an official journal of the American Association for Cancer Research [Clin Cancer Res] 2009 Nov 15; Vol. 15 (22), pp. 6891-900. Date of Electronic Publication: 2009 Nov 03.

Structural insights into the design of nonpeptidic isothiazolidinone-containing inhibitors of protein-tyrosine phosphatase 1B.

Autor: Ala PJ; Incyte Corporation, Wilmington, Delaware 19880, USA. pauljala@gmail.com, Gonneville L, Hillman M, Becker-Pasha M, Yue EW, Douty B, Wayland B, Polam P, Crawley ML, McLaughlin E, Sparks RB, Glass B, Takvorian A, Combs AP, Burn TC, Hollis GF, Wynn R

Publikováno v: The Journal of biological chemistry [J Biol Chem] 2006 Dec 08; Vol. 281 (49), pp. 38013-21. Date of Electronic Publication: 2006 Oct 06.

Human Protein Tyrosine Phosphatase 1B (PTP1B): From Structure to Clinical Inhibitor Perspectives.

Autor: Liu, Rongxing¹ (AUTHOR) 1173942453lrx@gmail.com, Mathieu, Cécile² (AUTHOR) cecilemathieu.fr@gmail.com, Berthelet, Jérémy^1,3 (AUTHOR) berthelet.jeremy1@gmail.com, Zhang, Wenchao^1,4,5 (AUTHOR) zhangwch611@gmail.com, Dupret, Jean-Marie¹ (AUTHOR) jean-marie.dupret@u-paris.fr, Rodrigues Lima, Fernando¹ (AUTHOR) fernando.rodrigues-lima@u-paris.fr

Publikováno v: International Journal of Molecular Sciences. Jul2022, Vol. 23 Issue 13, p7027-N.PAG. 20p.