Toxicity and α-Amylase Inhibitory Potential of  Tagetes erecta  Leaf Extract:  In Vitro  and  In Silico  Approaches

Herlina Rasyid; Nunuk Hariani Soekamto; Bulkis Musa; Siswanto Siswanto; Arniati Labanni; Artania Adnin Tri Suma; Nur Hilal A Syahrir; Bahrun Bahrun; Kadek Susi Badrawati; Mohammad Taufik Yusuf

doi:10.22146/ijc.104489

Toxicity and α-Amylase Inhibitory Potential of Tagetes erecta Leaf Extract: In Vitro and In Silico Approaches

https://doi.org/10.22146/ijc.104489

Herlina Rasyid^(1*), Nunuk Hariani Soekamto⁽²⁾, Bulkis Musa⁽³⁾, Siswanto Siswanto⁽⁴⁾, Arniati Labanni⁽⁵⁾, Artania Adnin Tri Suma⁽⁶⁾, Nur Hilal A Syahrir⁽⁷⁾, Bahrun Bahrun⁽⁸⁾, Kadek Susi Badrawati⁽⁹⁾, Mohammad Taufik Yusuf⁽¹⁰⁾

(1) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Hasanuddin University, Jl. Perintis Kemerdekaan km 10, Makassar 90245, Indonesia
(2) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Hasanuddin University, Jl. Perintis Kemerdekaan km 10, Makassar 90245, Indonesia
(3) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Hasanuddin University, Jl. Perintis Kemerdekaan km 10, Makassar 90245, Indonesia
(4) Department of Statistics, Faculty of Mathematics and Natural Sciences, Hasanuddin University, Jl. Perintis Kemerdekaan km 10, Makassar 90245, Indonesia
(5) Research Center for Environmental and Clean Technology, National Research and Innovation Agency of Republic Indonesia (BRIN), KST Samaun Samadikun, Jl. Sangkuriang No. 15, Bandung 40135, Indonesia
(6) Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Gadjah Mada, Sekip Utara, Yogyakarta 55281, Indonesia
(7) Department of Statistics, Faculty of Mathematics and Natural Sciences, Universitas Sulawesi Barat, Jl. Prof. Dr. Baharuddin Lopa, SH, Majene 90311, Indonesia
(8) Research Center for Chemistry, National Research and Innovation Agency (BRIN), KST BJ Habibie, Jl. Puspiptek Serpong, Banten 15314, Indonesia
(9) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Hasanuddin University, Jl. Perintis Kemerdekaan km 10, Makassar 90245, Indonesia
(10) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Hasanuddin University, Jl. Perintis Kemerdekaan km 10, Makassar 90245, Indonesia
(*) Corresponding Author

Abstract

Tagetes erecta is one of traditional herbs with a variety of pharmacological actions. This study attempted to assess the toxicity and antidiabetic activity of T. erecta leaf extract. The extraction was carried out by maceration, then continued with phytochemical analysis. Toxicity of the extract was conducted using the brine shrimp lethality test. The antidiabetic activity was evaluated by α-amylase inhibitory using the 3,5-dinitrosalicylic acid method. The phytochemical of the most active extract was identified using GC-MS and subjected to bind the α-amylase (PDB ID: 2QV4) employing molecular docking. The LC₅₀ values of n-hexane, EtOAc, and MeOH extracts were 33.41, 14.00, and 35.03 ppm, respectively, indicating high toxicity. The antidiabetic activity showed that EtOAc extract has the lowest IC₅₀ value (1053.95 mg/L). Molecular docking analysis revealed the compounds 1–5 has range of binding energy at −4.07 to −4.83 kcal/mol. Acarbose as a positive control showed the lower binding energy at −5.03 kcal/mol, indicated more effective α-amylase inhibitory. This study revealed that T. erecta leaf extract has significant cytotoxic potential, which may warrant further exploration for anticancer applications. However, the relatively weak α-amylase inhibitory and lower binding affinity compared to acarbose imply limited utility as an antidiabetic agent.

Keywords

antidiabetic; molecular docking; Tagetes erecta; toxicity

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DOI: https://doi.org/10.22146/ijc.104489