Liothyronine could block the programmed death-ligand 1 (PDL1) activity: an e-Pharmacophore modeling and virtual screening study

References

• Sharma P, Allison JP. The future of immune checkpoint therapy. Science. 2015;348(6230):56–61.
   PubMed Web of Science ®Google Scholar
• Couzin-Frankel J. Cancer immunotherapy. Am Assoc Adv Sci. 2013;342(6165):1432–1433.
   Google Scholar
• Melero I, Berman DM, Aznar MA, et al. Evolving synergistic combinations of targeted immunotherapies to combat cancer. Nat Rev Cancer. 2015;15(8):457–472.
   PubMed Web of Science ®Google Scholar
• Sharpe AH, Pauken KE. The diverse functions of the PD1 inhibitory pathway. Nat Rev Immunol. 2018;18(3):153–167.
   PubMed Web of Science ®Google Scholar
• Payandeh Z, Khalili S, Somi MH, et al. PD-1/PD-L1-dependent immune response in colorectal cancer. J Cell Physiol. 2020;235(7-8):5461–5475.
   PubMed Web of Science ®Google Scholar
• Alsaab HO, Sau S, Alzhrani R, et al. PD-1 and PD-L1 checkpoint signaling inhibition for cancer immunotherapy: mechanism, combinations, and clinical outcome. Front Pharmacol. 2017;8:561.
   PubMed Web of Science ®Google Scholar
• Lin X, Lu X, Luo G, et al. Progress in PD-1/PD-L1 pathway inhibitors: from biomacromolecules to small molecules. Eur J Med Chem. 2020;186:111876.
   PubMed Web of Science ®Google Scholar
• Kim JH, Kim YS, Choi J-G, et al. Kaempferol and Its Glycoside, Kaempferol 7-O-rhamnoside, Inhibit PD-1/PD-L1 Interaction In Vitro. IJMS. 2020;21(9):3239.
   Google Scholar
• Wu J, Li W, Zheng Z, et al. Design, synthesis, biological evaluation, Common feature pharmacophore model and molecular dynamics simulation studies of ethyl 4-(phenoxymethyl)-2-phenylthiazole-5-carboxylate as Src Homology-2 Domain Containing Protein Tyrosine Phosphatase-2 (SHP2) inhibitors. J Biomol Struct Dyn. 2020:1–15. DOI:https://doi.org/10.1080/07391102.2020.1726817
   Google Scholar
• Chupak LS, Ding M, Martin SW, et al. Compounds useful as immunomodulators. Google Patents; 2017.
   Google Scholar
• Rahbar MR, Zarei M, Jahangiri A, et al. Trimeric autotransporter adhesins in Acinetobacter baumannii, coincidental evolution at work. Infect Genet Evol. 2019;71:116–127.
   PubMed Web of Science ®Google Scholar
• Mard-Soltani M, Rasaee MJ, Khalili S, et al. The effect of differentially designed fusion proteins to elicit efficient anti-human thyroid stimulating hormone immune responses. Iranian J Allergy Asthma Immunol. 2018;17(2):158–170.
   PubMed Web of Science ®Google Scholar
• Khodashenas S, Khalili S, Moghadam MF. A cell ELISA based method for exosome detection in diagnostic and therapeutic applications. Biotechnol Lett. 2019;41(4-5):523–531.
   PubMed Web of Science ®Google Scholar
• Bahrami AA, Payandeh Z, Khalili S, et al. Immunoinformatics: in silico approaches and computational design of a multi-epitope, immunogenic protein. Int Rev Immunol. 2019;38(6):307–322.
   PubMed Web of Science ®Google Scholar
• Payandeh Z, Rahbar MR, Jahangiri A, et al. Design of an engineered ACE2 as a novel therapeutics against COVID-19. J Theor Biol. 2020;505:110425.
   PubMed Web of Science ®Google Scholar
• Khalili S, Mohammadpour H, Barough MS, et al. ILP-2 modeling and virtual screening of an FDA-approved library:a possible anticancer therapy. Turk J Med Sci. 2016;46(4):1135–1143.
   PubMed Web of Science ®Google Scholar
• Suvannang N, Nantasenamat C, Isarankura-Na-Ayudhya C, et al. Molecular docking of aromatase inhibitors. Molecules. 2011;16(5):3597–3617.
   Web of Science ®Google Scholar
• Chupak LS, Zheng X. Compounds useful as immunomodulators. Google Patents; 2018.
   Google Scholar
• Guzik K, Zak KM, Grudnik P, et al. Small-molecule inhibitors of the programmed cell Death-1/programmed death-ligand 1 (PD-1/PD-L1) interaction via transiently induced protein states and dimerization of PD-L1. J Med Chem. 2017;60(13):5857–5867.
   PubMed Web of Science ®Google Scholar
• Zak KM, Grudnik P, Guzik K, et al. Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1). Oncotarget. 2016;7(21):30323–30335.
   PubMedGoogle Scholar
• Skalniak L, Zak KM, Guzik K, et al. Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. Oncotarget. 2017;8(42):72167–72181.
   PubMedGoogle Scholar
• Sako Y. Virtual screening for small-molecule inhibitors of PD-1/PD-L1 protein-protein interaction using in silico fragment mapping method 2018. SDRP Journal of Computational Chemistry & Molecular Modelling 2 (4) Copy rights:© This is an Open access article distributed under the terms of International License. ABSTRACT Inhibition of the immunity checkpoint pathway of PD.1.
   Google Scholar
• Sasikumar PGN, Ramachandra M, Naremaddepalli SSS. 1, p. 3. 4-Oxadiazole and 1, 3, 4-Thiadiazole Derivatives as Immunomodulators Google Patents; 2016.
   Google Scholar
• Yang J, Hu L. Immunomodulators targeting the PD-1/PD-L1 protein-protein interaction: From antibodies to small molecules. Med Res Rev. 2019;39(1):265–301.
   PubMed Web of Science ®Google Scholar
• Liu B, Song Y, Liu D. Recent development in clinical applications of PD-1 and PD-L1 antibodies for cancer immunotherapy. J Hematol Oncol. 2017;10(1):174.
   PubMedGoogle Scholar
• Zou W, Wolchok JD, Chen L. PD-L1 (B7-H1) and PD-1 pathway blockade for cancer therapy: Mechanisms, response biomarkers, and combinations. Sci Transl Med. 2016;8(328):328rv4.
   PubMed Web of Science ®Google Scholar
• Sharma P, Allison JP. Immune checkpoint targeting in cancer therapy: toward combination strategies with curative potential. Cell. 2015;161(2):205–214.
   PubMed Web of Science ®Google Scholar
• Li X, Shao C, Shi Y, et al. Lessons learned from the blockade of immune checkpoints in cancer immunotherapy. J Hematol Oncol. 2018;11(1):31.
   PubMedGoogle Scholar
• Keir ME, Butte MJ, Freeman GJ, et al. PD-1 and its ligands in tolerance and immunity. Annu Rev Immunol. 2008;26:677–704.
   PubMed Web of Science ®Google Scholar
• Chen L, Han X. Anti-PD-1/PD-L1 therapy of human cancer: past, present, and future. J Clin Invest. 2015;125(9):3384–3391.
   PubMed Web of Science ®Google Scholar
• Freeman GJ, Long AJ, Iwai Y, et al. Engagement of the PD-1 immunoinhibitory receptor by a novel B7 family member leads to negative regulation of lymphocyte activation. J Exp Med. 2000;192(7):1027–1034.
   PubMed Web of Science ®Google Scholar
• Latchman Y, Wood CR, Chernova T, et al. PD-L2 is a second ligand for PD-1 and inhibits T cell activation. Nat Immunol. 2001;2(3):261–268.
   PubMed Web of Science ®Google Scholar
• Meng R, Tang H-Y, Westfall J, et al. Crosstalk between integrin αvβ3 and estrogen receptor-α is involved in thyroid hormone-induced proliferation in human lung carcinoma cells. PLoS One. 2011;6(11):e27547.
   PubMed Web of Science ®Google Scholar
• Hercbergs A, Johnson RE, Ashur-Fabian O, et al. Medically induced euthyroid hypothyroxinemia may extend survival in compassionate need cancer patients: an observational study. Oncologist. 2015;20(1):72–76.
   PubMed Web of Science ®Google Scholar
• Rodríguez-Molinero A, Hercbergs A, Sarrias M, et al. Plasma 3,3',5-Triiodo-L-thyronine [T3] level mirrors changes in tumor markers in two cases of metastatic cancer of the breast and pancreas treated with exogenous L-T3. Cancer Biomark. 2018;21(2):433–438.
   PubMed Web of Science ®Google Scholar
• Huang SA, Tu HM, Harney JW, et al. Severe hypothyroidism caused by type 3 iodothyronine deiodinase in infantile hemangiomas. N Engl J Med. 2000;343(3):185–189.
   PubMed Web of Science ®Google Scholar
• Güven A, Aygun C, İnce H, et al. Severe hypothyroidism caused by hepatic hemangioendothelioma in an infant of a diabetic mother. Horm Res. 2005;63(2):86–89.
   PubMedGoogle Scholar
• Yung W-K, Steward W, Marks JE, et al. Glioblastoma multiforme: treatment with radiation and trhodothyronine. Int J Radiat Oncol Biol Phys. 1976;1(7-8):645–650.
   PubMed Web of Science ®Google Scholar
• Hercbergs A, Goyal L, Suh J, et al. Propylthiouracil-induced chemical hypothyroidism with high-dose tamoxifen prolongs survival in recurrent high grade glioma: a phase I/II study. Anticancer Res. 2003;23(1B):617–626.
   PubMed Web of Science ®Google Scholar
• Hamanishi J, Mandai M, Matsumura N, et al. PD-1/PD-L1 blockade in cancer treatment: perspectives and issues. Int J Clin Oncol. 2016;21(3):462–473.
   PubMed Web of Science ®Google Scholar
• Lin H-Y, Chin Y-T, Nana AW, et al. Actions of l-thyroxine and nano-diamino-tetrac (nanotetrac) on PD-L1 in cancer cells. Steroids. 2016;114:59–67.
   PubMed Web of Science ®Google Scholar