Effect of Trisindoline 1 on CD44 and CD123 in Cancer Stem Cell using In-silico Method

Putu Indrayuma Kamajaya; Awik Puji Dyah Nurhayati; Edwin Setiawan; Mardi Santoso

doi:10.1063/5.0237054

Effect of Trisindoline 1 on CD44 and CD123 in Cancer Stem Cell using In-silico Method

Putu Indrayuma Kamajaya
, Awik Puji Dyah Nurhayati^*
, Edwin Setiawan
, Mardi Santoso

^*Corresponding author for this work

Institut Teknologi Sepuluh Nopember

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

Cancer stem cells (CSC) are a type of cancer cell that has similarities to stem cells. The general method used in cancer treatment usually involves the administration of chemotherapy compounds such as doxorubicin. Still, due to the severity of the side effects of chemotherapy, it is necessary to have alternative compounds that have high cytotoxic activity with low side effects. This study examined the anti-cancer potential of Trisindoline 1 with structure 5^-nitro-[3,3^:3^,3^-terindoline]-2^-ona in CSC by targeting biomarkers such as CD44 and CD123. The method used is molecular docking with an in-silico approach using PyRx with Trisindoline 1 against CD44 and CD123 biomarkers and doxorubicin as the positive control. The docking results showed that the Trisindoline 1 has Gibbs free energy value of -8.3 Kcal/mol compared to doxorubicin -8.4 Kcal/mol on CD44 and -9.5 Kcal/mol compared to doxorubicin -7.7 Kcal/mol on CD123. This result indicates that Trisindoline 1 had the potential to inhibit the HER2 signaling pathway in CD44 and JAK2-STAT5 signaling pathway in CD123, thus stimulating apoptosis through an intrinsic pathway in CSC.

Original language	English
Title of host publication	AIP Conference Proceedings
Editors	Ahmad Taufiq, Hendra Susanto, Chuang-Rung Chang, I. Ching Wang, Hadi Nur, Muhammad Aziz, Sri Rahayu Lestari, Markus Diantoro, Nandang Mufti, Nik Ahmad Nizam Nik Malek, Sunaryono, Siti Zubaidah, Aulanni'am, Indra Wibowo, Adeodatus Yuda Handaya
Publisher	American Institute of Physics
Edition	1
ISBN (Electronic)	9780735451025
DOIs	https://doi.org/10.1063/5.0237054
Publication status	Published - 30 Jan 2025
Event	5th International Conference on Life Science and Technology, ICoLiST 2022 - Hybrid, Malang, Indonesia Duration: 30 Aug 2022 → 31 Aug 2022

Publication series

Name	AIP Conference Proceedings
Number	1
Volume	3186
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	5th International Conference on Life Science and Technology, ICoLiST 2022
Country/Territory	Indonesia
City	Hybrid, Malang
Period	30/08/22 → 31/08/22

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 3 Good Health and Well-being

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10.1063/5.0237054

Cite this

Kamajaya, P. I., Nurhayati, A. P. D., Setiawan, E., & Santoso, M. (2025). Effect of Trisindoline 1 on CD44 and CD123 in Cancer Stem Cell using In-silico Method. In A. Taufiq, H. Susanto, C.-R. Chang, I. C. Wang, H. Nur, M. Aziz, S. R. Lestari, M. Diantoro, N. Mufti, N. A. N. N. Malek, Sunaryono, S. Zubaidah, Aulanni'am, I. Wibowo, & A. Y. Handaya (Eds.), AIP Conference Proceedings (1 ed.). Article 020006 (AIP Conference Proceedings; Vol. 3186, No. 1). American Institute of Physics. https://doi.org/10.1063/5.0237054

Kamajaya, Putu Indrayuma ; Nurhayati, Awik Puji Dyah ; Setiawan, Edwin et al. / Effect of Trisindoline 1 on CD44 and CD123 in Cancer Stem Cell using In-silico Method. AIP Conference Proceedings. editor / Ahmad Taufiq ; Hendra Susanto ; Chuang-Rung Chang ; I. Ching Wang ; Hadi Nur ; Muhammad Aziz ; Sri Rahayu Lestari ; Markus Diantoro ; Nandang Mufti ; Nik Ahmad Nizam Nik Malek ; Sunaryono ; Siti Zubaidah ; Aulanni'am ; Indra Wibowo ; Adeodatus Yuda Handaya. 1. ed. American Institute of Physics, 2025. (AIP Conference Proceedings; 1).

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title = "Effect of Trisindoline 1 on CD44 and CD123 in Cancer Stem Cell using In-silico Method",

abstract = "Cancer stem cells (CSC) are a type of cancer cell that has similarities to stem cells. The general method used in cancer treatment usually involves the administration of chemotherapy compounds such as doxorubicin. Still, due to the severity of the side effects of chemotherapy, it is necessary to have alternative compounds that have high cytotoxic activity with low side effects. This study examined the anti-cancer potential of Trisindoline 1 with structure 5\textasciicircum{}-nitro-[3,3\textasciicircum{}:3\textasciicircum{},3\textasciicircum{}-terindoline]-2\textasciicircum{}-ona in CSC by targeting biomarkers such as CD44 and CD123. The method used is molecular docking with an in-silico approach using PyRx with Trisindoline 1 against CD44 and CD123 biomarkers and doxorubicin as the positive control. The docking results showed that the Trisindoline 1 has Gibbs free energy value of -8.3 Kcal/mol compared to doxorubicin -8.4 Kcal/mol on CD44 and -9.5 Kcal/mol compared to doxorubicin -7.7 Kcal/mol on CD123. This result indicates that Trisindoline 1 had the potential to inhibit the HER2 signaling pathway in CD44 and JAK2-STAT5 signaling pathway in CD123, thus stimulating apoptosis through an intrinsic pathway in CSC.",

author = "Kamajaya, \{Putu Indrayuma\} and Nurhayati, \{Awik Puji Dyah\} and Edwin Setiawan and Mardi Santoso",

note = "Publisher Copyright: {\textcopyright} 2025 American Institute of Physics Inc.. All rights reserved.; 5th International Conference on Life Science and Technology, ICoLiST 2022 ; Conference date: 30-08-2022 Through 31-08-2022",

year = "2025",

month = jan,

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doi = "10.1063/5.0237054",

language = "English",

series = "AIP Conference Proceedings",

publisher = "American Institute of Physics",

number = "1",

editor = "Ahmad Taufiq and Hendra Susanto and Chuang-Rung Chang and Wang, \{I. Ching\} and Hadi Nur and Muhammad Aziz and Lestari, \{Sri Rahayu\} and Markus Diantoro and Nandang Mufti and Malek, \{Nik Ahmad Nizam Nik\} and Sunaryono and Siti Zubaidah and Aulanni'am and Indra Wibowo and Handaya, \{Adeodatus Yuda\}",

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Kamajaya, PI, Nurhayati, APD , Setiawan, E & Santoso, M 2025, Effect of Trisindoline 1 on CD44 and CD123 in Cancer Stem Cell using In-silico Method. in A Taufiq, H Susanto, C-R Chang, IC Wang, H Nur, M Aziz, SR Lestari, M Diantoro, N Mufti, NANN Malek, Sunaryono, S Zubaidah, Aulanni'am, I Wibowo & AY Handaya (eds), AIP Conference Proceedings. 1 edn, 020006, AIP Conference Proceedings, no. 1, vol. 3186, American Institute of Physics, 5th International Conference on Life Science and Technology, ICoLiST 2022, Hybrid, Malang, Indonesia, 30/08/22. https://doi.org/10.1063/5.0237054

Effect of Trisindoline 1 on CD44 and CD123 in Cancer Stem Cell using In-silico Method. / Kamajaya, Putu Indrayuma; Nurhayati, Awik Puji Dyah ; Setiawan, Edwin et al.
AIP Conference Proceedings. ed. / Ahmad Taufiq; Hendra Susanto; Chuang-Rung Chang; I. Ching Wang; Hadi Nur; Muhammad Aziz; Sri Rahayu Lestari; Markus Diantoro; Nandang Mufti; Nik Ahmad Nizam Nik Malek; Sunaryono; Siti Zubaidah; Aulanni'am; Indra Wibowo; Adeodatus Yuda Handaya. 1. ed. American Institute of Physics, 2025. 020006 (AIP Conference Proceedings; Vol. 3186, No. 1).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - Effect of Trisindoline 1 on CD44 and CD123 in Cancer Stem Cell using In-silico Method

AU - Kamajaya, Putu Indrayuma

AU - Nurhayati, Awik Puji Dyah

AU - Setiawan, Edwin

AU - Santoso, Mardi

PY - 2025/1/30

Y1 - 2025/1/30

N2 - Cancer stem cells (CSC) are a type of cancer cell that has similarities to stem cells. The general method used in cancer treatment usually involves the administration of chemotherapy compounds such as doxorubicin. Still, due to the severity of the side effects of chemotherapy, it is necessary to have alternative compounds that have high cytotoxic activity with low side effects. This study examined the anti-cancer potential of Trisindoline 1 with structure 5^-nitro-[3,3^:3^,3^-terindoline]-2^-ona in CSC by targeting biomarkers such as CD44 and CD123. The method used is molecular docking with an in-silico approach using PyRx with Trisindoline 1 against CD44 and CD123 biomarkers and doxorubicin as the positive control. The docking results showed that the Trisindoline 1 has Gibbs free energy value of -8.3 Kcal/mol compared to doxorubicin -8.4 Kcal/mol on CD44 and -9.5 Kcal/mol compared to doxorubicin -7.7 Kcal/mol on CD123. This result indicates that Trisindoline 1 had the potential to inhibit the HER2 signaling pathway in CD44 and JAK2-STAT5 signaling pathway in CD123, thus stimulating apoptosis through an intrinsic pathway in CSC.

AB - Cancer stem cells (CSC) are a type of cancer cell that has similarities to stem cells. The general method used in cancer treatment usually involves the administration of chemotherapy compounds such as doxorubicin. Still, due to the severity of the side effects of chemotherapy, it is necessary to have alternative compounds that have high cytotoxic activity with low side effects. This study examined the anti-cancer potential of Trisindoline 1 with structure 5^-nitro-[3,3^:3^,3^-terindoline]-2^-ona in CSC by targeting biomarkers such as CD44 and CD123. The method used is molecular docking with an in-silico approach using PyRx with Trisindoline 1 against CD44 and CD123 biomarkers and doxorubicin as the positive control. The docking results showed that the Trisindoline 1 has Gibbs free energy value of -8.3 Kcal/mol compared to doxorubicin -8.4 Kcal/mol on CD44 and -9.5 Kcal/mol compared to doxorubicin -7.7 Kcal/mol on CD123. This result indicates that Trisindoline 1 had the potential to inhibit the HER2 signaling pathway in CD44 and JAK2-STAT5 signaling pathway in CD123, thus stimulating apoptosis through an intrinsic pathway in CSC.

UR - https://www.scopus.com/pages/publications/85217633848

U2 - 10.1063/5.0237054

DO - 10.1063/5.0237054

M3 - Conference contribution

AN - SCOPUS:85217633848

T3 - AIP Conference Proceedings

BT - AIP Conference Proceedings

A2 - Taufiq, Ahmad

A2 - Susanto, Hendra

A2 - Chang, Chuang-Rung

A2 - Wang, I. Ching

A2 - Nur, Hadi

A2 - Aziz, Muhammad

A2 - Lestari, Sri Rahayu

A2 - Diantoro, Markus

A2 - Mufti, Nandang

A2 - Malek, Nik Ahmad Nizam Nik

A2 - Sunaryono, null

A2 - Zubaidah, Siti

A2 - Aulanni'am, null

A2 - Wibowo, Indra

A2 - Handaya, Adeodatus Yuda

PB - American Institute of Physics

T2 - 5th International Conference on Life Science and Technology, ICoLiST 2022

Y2 - 30 August 2022 through 31 August 2022

ER -

Kamajaya PI, Nurhayati APD , Setiawan E , Santoso M. Effect of Trisindoline 1 on CD44 and CD123 in Cancer Stem Cell using In-silico Method. In Taufiq A, Susanto H, Chang CR, Wang IC, Nur H, Aziz M, Lestari SR, Diantoro M, Mufti N, Malek NANN, Sunaryono, Zubaidah S, Aulanni'am, Wibowo I, Handaya AY, editors, AIP Conference Proceedings. 1 ed. American Institute of Physics. 2025. 020006. (AIP Conference Proceedings; 1). doi: 10.1063/5.0237054

Effect of Trisindoline 1 on CD44 and CD123 in Cancer Stem Cell using In-silico Method

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