In vitro evaluation and molecular docking of QS-21 and quillaic acid from Quillaja saponaria Molina as gastric cancer agents

Leda Guzmán; Katherine Villalón; María José Marchant; María Elena Tarnok; Pilar Cárdenas; Gisela Aquea; Waldo Acevedo; Leandro Padilla; Giuliano Bernal; Aurora Molinari; Alejandro Corvalán

doi:10.1038/s41598-020-67442-3

In vitro evaluation and molecular docking of QS-21 and quillaic acid from Quillaja saponaria Molina as gastric cancer agents

Leda Guzmán, Katherine Villalón, María José Marchant, María Elena Tarnok, Pilar Cárdenas, Gisela Aquea, Waldo Acevedo, Leandro Padilla, Giuliano Bernal, Aurora Molinari, Alejandro Corvalán

INSTITUTE OF CHEMISTRY

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

The cytotoxic mechanism of the saponin QS-21 and its aglycone quillaic acid (QA) was studied on human gastric cancer cells (SNU1 and KATO III). Both compounds showed in vitro cytotoxic activity with IC₅₀ values: 7.1 μM (QS-21) and 13.6 μM (QA) on SNU1 cells; 7.4 μM (QS-21) and 67 μM (QA) on KATO III cells. QS-21 and QA induce apoptosis on SNU1 and KATO III, as demonstrated by TUNEL, Annexin-V and Caspase Assays. Additionally, we performed in silico docking studies simulating the binding of both triterpenic compounds to key proteins involved in apoptotic pathways. The binding energies (∆G_bin) thus calculated, suggest that the pro-apoptotic protein Bid might be a plausible target involved in the apoptotic effect of both triterpenic compounds. Although QA shows some antiproliferative effects on SNU1 cells cultured in vitro, our results suggest that QS-21 is a more powerful antitumor agent, which merits further investigation regarding their properties as potential therapeutic agents for gastric cancer.

Original language	English
Article number	10534
Journal	Scientific Reports
Volume	10
Issue number	1
DOIs	https://doi.org/10.1038/s41598-020-67442-3
State	Published - 1 Dec 2020

UN SDGs

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

Access to Document

10.1038/s41598-020-67442-3

Cite this

Guzmán, L., Villalón, K., Marchant, M. J., Tarnok, M. E., Cárdenas, P., Aquea, G., Acevedo, W., Padilla, L., Bernal, G., Molinari, A., & Corvalán, A. (2020). In vitro evaluation and molecular docking of QS-21 and quillaic acid from Quillaja saponaria Molina as gastric cancer agents. Scientific Reports, 10(1), Article 10534. https://doi.org/10.1038/s41598-020-67442-3

@article{d6c1a0ae4f74498d8b22fae3cda5a65d,

title = "In vitro evaluation and molecular docking of QS-21 and quillaic acid from Quillaja saponaria Molina as gastric cancer agents",

abstract = "The cytotoxic mechanism of the saponin QS-21 and its aglycone quillaic acid (QA) was studied on human gastric cancer cells (SNU1 and KATO III). Both compounds showed in vitro cytotoxic activity with IC50 values: 7.1 μM (QS-21) and 13.6 μM (QA) on SNU1 cells; 7.4 μM (QS-21) and 67 μM (QA) on KATO III cells. QS-21 and QA induce apoptosis on SNU1 and KATO III, as demonstrated by TUNEL, Annexin-V and Caspase Assays. Additionally, we performed in silico docking studies simulating the binding of both triterpenic compounds to key proteins involved in apoptotic pathways. The binding energies (∆Gbin) thus calculated, suggest that the pro-apoptotic protein Bid might be a plausible target involved in the apoptotic effect of both triterpenic compounds. Although QA shows some antiproliferative effects on SNU1 cells cultured in vitro, our results suggest that QS-21 is a more powerful antitumor agent, which merits further investigation regarding their properties as potential therapeutic agents for gastric cancer.",

author = "Leda Guzm{\'a}n and Katherine Villal{\'o}n and Marchant, {Mar{\'i}a Jos{\'e}} and Tarnok, {Mar{\'i}a Elena} and Pilar C{\'a}rdenas and Gisela Aquea and Waldo Acevedo and Leandro Padilla and Giuliano Bernal and Aurora Molinari and Alejandro Corval{\'a}n",

note = "Publisher Copyright: {\textcopyright} 2020, The Author(s).",

year = "2020",

month = dec,

day = "1",

doi = "10.1038/s41598-020-67442-3",

language = "English",

volume = "10",

journal = "Scientific Reports",

issn = "2045-2322",

publisher = "Nature Publishing Group",

number = "1",

}

TY - JOUR

T1 - In vitro evaluation and molecular docking of QS-21 and quillaic acid from Quillaja saponaria Molina as gastric cancer agents

AU - Guzmán, Leda

AU - Villalón, Katherine

AU - Marchant, María José

AU - Tarnok, María Elena

AU - Cárdenas, Pilar

AU - Aquea, Gisela

AU - Acevedo, Waldo

AU - Padilla, Leandro

AU - Bernal, Giuliano

AU - Molinari, Aurora

AU - Corvalán, Alejandro

PY - 2020/12/1

Y1 - 2020/12/1

N2 - The cytotoxic mechanism of the saponin QS-21 and its aglycone quillaic acid (QA) was studied on human gastric cancer cells (SNU1 and KATO III). Both compounds showed in vitro cytotoxic activity with IC50 values: 7.1 μM (QS-21) and 13.6 μM (QA) on SNU1 cells; 7.4 μM (QS-21) and 67 μM (QA) on KATO III cells. QS-21 and QA induce apoptosis on SNU1 and KATO III, as demonstrated by TUNEL, Annexin-V and Caspase Assays. Additionally, we performed in silico docking studies simulating the binding of both triterpenic compounds to key proteins involved in apoptotic pathways. The binding energies (∆Gbin) thus calculated, suggest that the pro-apoptotic protein Bid might be a plausible target involved in the apoptotic effect of both triterpenic compounds. Although QA shows some antiproliferative effects on SNU1 cells cultured in vitro, our results suggest that QS-21 is a more powerful antitumor agent, which merits further investigation regarding their properties as potential therapeutic agents for gastric cancer.

AB - The cytotoxic mechanism of the saponin QS-21 and its aglycone quillaic acid (QA) was studied on human gastric cancer cells (SNU1 and KATO III). Both compounds showed in vitro cytotoxic activity with IC50 values: 7.1 μM (QS-21) and 13.6 μM (QA) on SNU1 cells; 7.4 μM (QS-21) and 67 μM (QA) on KATO III cells. QS-21 and QA induce apoptosis on SNU1 and KATO III, as demonstrated by TUNEL, Annexin-V and Caspase Assays. Additionally, we performed in silico docking studies simulating the binding of both triterpenic compounds to key proteins involved in apoptotic pathways. The binding energies (∆Gbin) thus calculated, suggest that the pro-apoptotic protein Bid might be a plausible target involved in the apoptotic effect of both triterpenic compounds. Although QA shows some antiproliferative effects on SNU1 cells cultured in vitro, our results suggest that QS-21 is a more powerful antitumor agent, which merits further investigation regarding their properties as potential therapeutic agents for gastric cancer.

UR - http://www.scopus.com/inward/record.url?scp=85087013930&partnerID=8YFLogxK

U2 - 10.1038/s41598-020-67442-3

DO - 10.1038/s41598-020-67442-3

M3 - Article

C2 - 32601436

AN - SCOPUS:85087013930

SN - 2045-2322

VL - 10

JO - Scientific Reports

JF - Scientific Reports

IS - 1

M1 - 10534

ER -

In vitro evaluation and molecular docking of QS-21 and quillaic acid from Quillaja saponaria Molina as gastric cancer agents

Abstract

UN SDGs

Access to Document

Other files and links

Fingerprint

Cite this