Computational biological activity and pharmacological properties analysis for anticancer Cyperus rotundus bioactive compounds

Wirdatun Nafisah; Honesty Nurizza Pinanti; Yuyun Ika Christina; Muhaimin Rifa'i; M. Sasmito Djati

doi:10.1063/5.0052746

Computational biological activity and pharmacological properties analysis for anticancer Cyperus rotundus bioactive compounds

Wirdatun Nafisah
, Honesty Nurizza Pinanti
, Yuyun Ika Christina
, Muhaimin Rifa'i
, M. Sasmito Djati^*

^*Corresponding author for this work

Faculty of Mathematics and Natural Sciences

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

4 Citations (Scopus)

Abstract

An antineoplastic agent is one of the main focuses of pharmaceutical development to treat cancer disease. In silico study can efficiently reduce the time and cost of such screening anticancer agent candidates. This study aimed to screen the biological activity and pharmacological properties of potential Cyperus rotundus bioactive compounds. Five bioactive compounds contained in Cyperus rotundus, such as apigenin, aureusidin, luteolin, quercetin, and scaberin were used in this study. The biological activity of investigated bioactive compounds was analyzed using PASS (Prediction of Activity Spectra for Substances) software. SwissADME software was used to analyze the pharmacological properties of each compound. Results showed that various biological activities have a potential as anticancer of all investigated compounds including free radical scavenging, HIF-1a inhibitor, and apoptosis agonist activity. All investigated compounds except scaberin demonstrated an antimutagenic activity, TP53 enhancer, and MMP9 inhibitor. However, antineoplastic activity only showed by aureusidin, luteolin, and scaberin. Based on SwissADME analysis known that all investigated bioactive compounds showed optimum lipophilicity, size, polarity, solubility, and flexibility. But the only scaberin showed optimum saturation. Five bioactive compounds contained in Cyperus rotundus showed a promising effect as anticancer drug candidate, so it needs to be studied further.

Original language	English
Title of host publication	International Conference on Life Sciences and Technology, ICoLiST 2020
Editors	Ahmad Taufiq, Hendra Susanto, Hadi Nur, Muhammad Aziz, Acharee Suksuwan, Chen Siang Ng, Khairunadwa Binti Jemon, Mohamad Amin, Markus Diantoro, Nandang Mufti, Nik Ahmad Nizam Nik Malek, I. Ching Wang, Sunaryono, Siti Zubaidah, Aulanni'am, Indra Wibowo, Adeodatus Yuda Handaya
Publisher	American Institute of Physics Inc.
ISBN (Electronic)	9780735440968
DOIs	https://doi.org/10.1063/5.0052746
Publication status	Published - 25 May 2021
Event	3rd International Conference on Life Sciences and Technology, ICoLiST 2020 - Malang, Indonesia Duration: 29 Sept 2020 → …

Publication series

Name	AIP Conference Proceedings
Volume	2353
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	3rd International Conference on Life Sciences and Technology, ICoLiST 2020
Country/Territory	Indonesia
City	Malang
Period	29/09/20 → …

UN SDGs

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

SDG 3 Good Health and Well-being

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10.1063/5.0052746

Cite this

Nafisah, W., Pinanti, H. N., Christina, Y. I., Rifa'i, M., & Djati, M. S. (2021). Computational biological activity and pharmacological properties analysis for anticancer Cyperus rotundus bioactive compounds. In A. Taufiq, H. Susanto, H. Nur, M. Aziz, A. Suksuwan, C. S. Ng, K. B. Jemon, M. Amin, M. Diantoro, N. Mufti, N. A. N. N. Malek, I. C. Wang, Sunaryono, S. Zubaidah, Aulanni'am, I. Wibowo, & A. Y. Handaya (Eds.), International Conference on Life Sciences and Technology, ICoLiST 2020 Article 030118 (AIP Conference Proceedings; Vol. 2353). American Institute of Physics Inc.. https://doi.org/10.1063/5.0052746

Nafisah, Wirdatun ; Pinanti, Honesty Nurizza ; Christina, Yuyun Ika et al. / Computational biological activity and pharmacological properties analysis for anticancer Cyperus rotundus bioactive compounds. International Conference on Life Sciences and Technology, ICoLiST 2020. editor / Ahmad Taufiq ; Hendra Susanto ; Hadi Nur ; Muhammad Aziz ; Acharee Suksuwan ; Chen Siang Ng ; Khairunadwa Binti Jemon ; Mohamad Amin ; Markus Diantoro ; Nandang Mufti ; Nik Ahmad Nizam Nik Malek ; I. Ching Wang ; Sunaryono ; Siti Zubaidah ; Aulanni'am ; Indra Wibowo ; Adeodatus Yuda Handaya. American Institute of Physics Inc., 2021. (AIP Conference Proceedings).

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title = "Computational biological activity and pharmacological properties analysis for anticancer Cyperus rotundus bioactive compounds",

abstract = "An antineoplastic agent is one of the main focuses of pharmaceutical development to treat cancer disease. In silico study can efficiently reduce the time and cost of such screening anticancer agent candidates. This study aimed to screen the biological activity and pharmacological properties of potential Cyperus rotundus bioactive compounds. Five bioactive compounds contained in Cyperus rotundus, such as apigenin, aureusidin, luteolin, quercetin, and scaberin were used in this study. The biological activity of investigated bioactive compounds was analyzed using PASS (Prediction of Activity Spectra for Substances) software. SwissADME software was used to analyze the pharmacological properties of each compound. Results showed that various biological activities have a potential as anticancer of all investigated compounds including free radical scavenging, HIF-1a inhibitor, and apoptosis agonist activity. All investigated compounds except scaberin demonstrated an antimutagenic activity, TP53 enhancer, and MMP9 inhibitor. However, antineoplastic activity only showed by aureusidin, luteolin, and scaberin. Based on SwissADME analysis known that all investigated bioactive compounds showed optimum lipophilicity, size, polarity, solubility, and flexibility. But the only scaberin showed optimum saturation. Five bioactive compounds contained in Cyperus rotundus showed a promising effect as anticancer drug candidate, so it needs to be studied further.",

author = "Wirdatun Nafisah and Pinanti, \{Honesty Nurizza\} and Christina, \{Yuyun Ika\} and Muhaimin Rifa'i and Djati, \{M. Sasmito\}",

note = "Publisher Copyright: {\textcopyright} 2021 Author(s).; 3rd International Conference on Life Sciences and Technology, ICoLiST 2020 ; Conference date: 29-09-2020",

year = "2021",

month = may,

day = "25",

doi = "10.1063/5.0052746",

language = "English",

series = "AIP Conference Proceedings",

publisher = "American Institute of Physics Inc.",

editor = "Ahmad Taufiq and Hendra Susanto and Hadi Nur and Muhammad Aziz and Acharee Suksuwan and Ng, \{Chen Siang\} and Jemon, \{Khairunadwa Binti\} and Mohamad Amin and Markus Diantoro and Nandang Mufti and Malek, \{Nik Ahmad Nizam Nik\} and Wang, \{I. Ching\} and Sunaryono and Siti Zubaidah and Aulanni'am and Indra Wibowo and Handaya, \{Adeodatus Yuda\}",

booktitle = "International Conference on Life Sciences and Technology, ICoLiST 2020",

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Nafisah, W, Pinanti, HN, Christina, YI, Rifa'i, M & Djati, MS 2021, Computational biological activity and pharmacological properties analysis for anticancer Cyperus rotundus bioactive compounds. in A Taufiq, H Susanto, H Nur, M Aziz, A Suksuwan, CS Ng, KB Jemon, M Amin, M Diantoro, N Mufti, NANN Malek, IC Wang, Sunaryono, S Zubaidah, Aulanni'am, I Wibowo & AY Handaya (eds), International Conference on Life Sciences and Technology, ICoLiST 2020., 030118, AIP Conference Proceedings, vol. 2353, American Institute of Physics Inc., 3rd International Conference on Life Sciences and Technology, ICoLiST 2020, Malang, Indonesia, 29/09/20. https://doi.org/10.1063/5.0052746

Computational biological activity and pharmacological properties analysis for anticancer Cyperus rotundus bioactive compounds. / Nafisah, Wirdatun; Pinanti, Honesty Nurizza; Christina, Yuyun Ika et al.
International Conference on Life Sciences and Technology, ICoLiST 2020. ed. / Ahmad Taufiq; Hendra Susanto; Hadi Nur; Muhammad Aziz; Acharee Suksuwan; Chen Siang Ng; Khairunadwa Binti Jemon; Mohamad Amin; Markus Diantoro; Nandang Mufti; Nik Ahmad Nizam Nik Malek; I. Ching Wang; Sunaryono; Siti Zubaidah; Aulanni'am; Indra Wibowo; Adeodatus Yuda Handaya. American Institute of Physics Inc., 2021. 030118 (AIP Conference Proceedings; Vol. 2353).

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

TY - GEN

T1 - Computational biological activity and pharmacological properties analysis for anticancer Cyperus rotundus bioactive compounds

AU - Nafisah, Wirdatun

AU - Pinanti, Honesty Nurizza

AU - Christina, Yuyun Ika

AU - Rifa'i, Muhaimin

AU - Djati, M. Sasmito

PY - 2021/5/25

Y1 - 2021/5/25

N2 - An antineoplastic agent is one of the main focuses of pharmaceutical development to treat cancer disease. In silico study can efficiently reduce the time and cost of such screening anticancer agent candidates. This study aimed to screen the biological activity and pharmacological properties of potential Cyperus rotundus bioactive compounds. Five bioactive compounds contained in Cyperus rotundus, such as apigenin, aureusidin, luteolin, quercetin, and scaberin were used in this study. The biological activity of investigated bioactive compounds was analyzed using PASS (Prediction of Activity Spectra for Substances) software. SwissADME software was used to analyze the pharmacological properties of each compound. Results showed that various biological activities have a potential as anticancer of all investigated compounds including free radical scavenging, HIF-1a inhibitor, and apoptosis agonist activity. All investigated compounds except scaberin demonstrated an antimutagenic activity, TP53 enhancer, and MMP9 inhibitor. However, antineoplastic activity only showed by aureusidin, luteolin, and scaberin. Based on SwissADME analysis known that all investigated bioactive compounds showed optimum lipophilicity, size, polarity, solubility, and flexibility. But the only scaberin showed optimum saturation. Five bioactive compounds contained in Cyperus rotundus showed a promising effect as anticancer drug candidate, so it needs to be studied further.

AB - An antineoplastic agent is one of the main focuses of pharmaceutical development to treat cancer disease. In silico study can efficiently reduce the time and cost of such screening anticancer agent candidates. This study aimed to screen the biological activity and pharmacological properties of potential Cyperus rotundus bioactive compounds. Five bioactive compounds contained in Cyperus rotundus, such as apigenin, aureusidin, luteolin, quercetin, and scaberin were used in this study. The biological activity of investigated bioactive compounds was analyzed using PASS (Prediction of Activity Spectra for Substances) software. SwissADME software was used to analyze the pharmacological properties of each compound. Results showed that various biological activities have a potential as anticancer of all investigated compounds including free radical scavenging, HIF-1a inhibitor, and apoptosis agonist activity. All investigated compounds except scaberin demonstrated an antimutagenic activity, TP53 enhancer, and MMP9 inhibitor. However, antineoplastic activity only showed by aureusidin, luteolin, and scaberin. Based on SwissADME analysis known that all investigated bioactive compounds showed optimum lipophilicity, size, polarity, solubility, and flexibility. But the only scaberin showed optimum saturation. Five bioactive compounds contained in Cyperus rotundus showed a promising effect as anticancer drug candidate, so it needs to be studied further.

UR - https://www.scopus.com/pages/publications/85107278007

U2 - 10.1063/5.0052746

DO - 10.1063/5.0052746

M3 - Conference contribution

AN - SCOPUS:85107278007

T3 - AIP Conference Proceedings

BT - International Conference on Life Sciences and Technology, ICoLiST 2020

A2 - Taufiq, Ahmad

A2 - Susanto, Hendra

A2 - Nur, Hadi

A2 - Aziz, Muhammad

A2 - Suksuwan, Acharee

A2 - Ng, Chen Siang

A2 - Jemon, Khairunadwa Binti

A2 - Amin, Mohamad

A2 - Diantoro, Markus

A2 - Mufti, Nandang

A2 - Malek, Nik Ahmad Nizam Nik

A2 - Wang, I. Ching

A2 - Sunaryono, null

A2 - Zubaidah, Siti

A2 - Aulanni'am, null

A2 - Wibowo, Indra

A2 - Handaya, Adeodatus Yuda

PB - American Institute of Physics Inc.

T2 - 3rd International Conference on Life Sciences and Technology, ICoLiST 2020

Y2 - 29 September 2020

ER -

Nafisah W, Pinanti HN, Christina YI, Rifa'i M , Djati MS. Computational biological activity and pharmacological properties analysis for anticancer Cyperus rotundus bioactive compounds. In Taufiq A, Susanto H, Nur H, Aziz M, Suksuwan A, Ng CS, Jemon KB, Amin M, Diantoro M, Mufti N, Malek NANN, Wang IC, Sunaryono, Zubaidah S, Aulanni'am, Wibowo I, Handaya AY, editors, International Conference on Life Sciences and Technology, ICoLiST 2020. American Institute of Physics Inc. 2021. 030118. (AIP Conference Proceedings). doi: 10.1063/5.0052746

Computational biological activity and pharmacological properties analysis for anticancer Cyperus rotundus bioactive compounds

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