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All Journal The Journal of Pure and Applied Chemistry Research Makara Journal of Science
Yanuar Setiadi
Program Studi Kimia Universitas Pendidikan Indonesia (UPI) Bandung
Chemical Engineering, Chemistry & Bioengineering Chemistry Materials Science & Nanotechnology Medicine & Pharmacology

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Computational Analysis on The Development of New Technetium-99m-labeled Pentapeptide for Cancer Molecular Imaging Targeting Integrin α5β1 Setiadi, Yanuar; Febrian, Muhamad Basit; Rattyananda, Badra Sanditya
The Journal of Pure and Applied Chemistry Research Vol 12, No 3 (2023): September-December 2023
Publisher : Chemistry Department, The University of Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.jpacr.2023.012.03.659

Abstract

Cancer continues to be a major leading cause of death despite huge efforts dedicated to developing anticancer drugs. Radiopeptide is currently used for targeted therapy and diagnosis of cancer. The structure selection of new radiopeptide should be determined to minimize the decrease in binding affinity because of metal radioisotope and its chelator. In this research, the interaction of radiopeptides based on technetium metal on RGD binding pocket of integrin α5β1 and synergy pocket of integrin α5 was analyzed by molecular docking simulation using Autodock Vina and Autodock 4. Pentapeptide Pro-His-Ser-Cys-Asn (PHSCN) has two possible conformations to interact with integrin α5 which is predicted could be labeled in two possible positions. Even though the results showed that the binding value of radiolabeled compounds was lower than PHSCN’s, some radiolabeled compounds in this simulation might have biological activity. The use of HYNIC-EDDA as a chelator produces better value than DTPA and MAS3. Radiolabeling procedures in the N-terminal position of the peptide are preferable and have higher affinity than C-terminal modification. Further laboratory experiments are required to confirm the activity of EDDA-Tc-HYNIC-PHSCN-NH2 on the integrin α5β1 receptor.
Cellular Uptake and Computational Analysis of [131I]-Xanthine and [131I]-Hypoxanthine in Human Prostate Cancer Cell Line (LNCaP) Wongso, Hendris; Mahendra, Isa; Setiadi, Yanuar; Rattyananda, Badra Sanditya; Rizaludin, Asep; Pranisuari, Ni Made Yuktikamura Galih; Kusumaningrum, Crhisterra Ellen
Makara Journal of Science Vol. 28, No. 3
Publisher : UI Scholars Hub

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Abstract

Potent radiolabelled compounds eligible for therapy of prostate cancer need to be developed. Hence, we developed two candidate therapeutic agents bearing the iodine-131 (131I) radionuclide, namely, [131I]-xanthine (3,7-dihydropurine-2,6-dione) and [131I]-hypoxanthine (1,9-dihydro-6H-purin-6-one). The radiolabelled compounds were subjected to a cellular uptake study, which was accomplished by incubating [131I]-xanthine and [131I]-hypoxanthine with the human prostate cancer cell line (LNCaP) for 5, 15, 30, 60, and 90 min. Results showed that the accumulation of both [131I]-xanthine and [131I]-hypoxanthine in prostate cancer cells was significantly higher than the control group (131I). [131I]-xanthine rapidly accumulated in prostate cancer cells, with the highest percentage of cellular uptake of 2.73% ± 0.40% observed at 30 min of incubation. By contrast, [131I]-hypoxanthine exhibited more efficient accumulation in prostate cancer cells, especially at 60 and 90 min of incubation, with cellular uptake values of 11.5% ± 3.14% and 11.9% ± 1.83%, respectively. Furthermore, the computational analysis showed that radioiodinated xanthine and hypoxanthine provide potential binding affinities and interaction on both androgen and prostate-specific membrane antigen receptors. Overall, this study indicates that [131I]-xanthine and [131I]-hypoxanthine can be potentially developed as therapeutic agents for prostate cancer.
Co-Authors Ahmad Aminudin Asep Kadarohman Budiman Anwar Hendris Wongso Kusumaningrum, Crhisterra Ellen Mahendra, Isa Muhamad Basit Febrian Pranisuari, Ni Made Yuktikamura Galih Rattyananda, Badra Sanditya Rizaludin, Asep Siti Aisyah