Computational and Experimental Evaluation of Azadirachta indica Leaf Extract Against Streptococcus pneumoniae and Streptococcus pyogenes

Nur Hasanah; Sheila Meitania Utami Sheila Mu; Beny Satria; Nanang Yunarto; Qomariah Hasanah; Silvester Maximus Tulandi

doi:10.18596/jotcsa.1800714

Computational and Experimental Evaluation of Azadirachta indica Leaf Extract Against Streptococcus pneumoniae and Streptococcus pyogenes

Abstract

The rise of antibiotic resistance in pneumonia therapy highlights the urgent need for alternative treatments derived from natural sources. Azadirachta indica leaves contain diverse secondary metabolites with notable antibacterial potential, yet their effects on Streptococcus pneumoniae and Streptococcus pyogenes remain insufficiently characterised. This study evaluated the antibacterial activity of ethanol extract from A. indica leaves using an integrated computational and experimental approach. Computational screening identified 35 bioactive compounds retrieved from the literature and public databases. Molecular docking revealed strong binding affinities of Chrysin, epicatechin, and ellagic acid toward Pneumolysin (7TXL), and Nimbaflavone, quercitrin, and Chrysin (8DOV). In vitro percentage-kill assays demonstrated bactericidal activity, achieving >98% killing of S. pneumoniae and >99% of S. pyogenes within 5 min. These findings confirm the potential antibacterial activity of A. indica leaf extract. The combined computational and experimental evidence suggests that its known bioactive may contribute to alternative strategies for pneumonia management amid escalating antibiotic resistance.

Keywords

Supporting Institution

The Department of Pharmacy, Widya Dharma Husada Tangerang School of Health Science, South Tangerang, Banten, 15417, Indonesia, supported this research.

Project Number

This research did not receive any specific grant from funding agencies in the public, commercial, or not-for-profit sectors.

Ethical Statement

This study did not involve human or animal subjects, and therefore ethical approval was not required. All experimental procedures complied with institutional guidelines for biosafety and good laboratory practice.

Thanks

The authors are thankful to Widya Dharma Husada Tangerang School of Health Science for providing facilities to conduct this research work.

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Details

Primary Language

English

Subjects

Theoretical and Computational Chemistry (Other), Biologically Active Molecules, Medicinal and Biomolecular Chemistry (Other)

Journal Section

Research Article

Authors

Nur Hasanah ^*
0000-0001-9436-5745
Indonesia

Sheila Meitania Utami Sheila Mu
0009-0006-7906-9407
Indonesia

Beny Satria This is me
0009-0005-7424-4117
Indonesia

Nanang Yunarto This is me
0000-0003-3097-0684
Indonesia

Qomariah Hasanah
0000-0003-3176-7143
Indonesia

Silvester Maximus Tulandi
0000-0002-9338-9128
Indonesia

Publication Date

February 24, 2026

Submission Date

October 11, 2025

Acceptance Date

January 20, 2026

Published in Issue

Year 2026 Number: 2026-1

DOI

https://doi.org/10.18596/jotcsa.1800714

IZ

https://izlik.org/JA34PF92DX

Cite

RIS / Bibtex

APA

Hasanah, N., Sheila Mu, S. M. U., Satria, B., Yunarto, N., Hasanah, Q., & Maximus Tulandi, S. (2026). Computational and Experimental Evaluation of Azadirachta indica Leaf Extract Against Streptococcus pneumoniae and Streptococcus pyogenes. Journal of the Turkish Chemical Society Section A: Chemistry, 2026-1. https://doi.org/10.18596/jotcsa.1800714

AMA

1.Hasanah N, Sheila Mu SMU, Satria B, Yunarto N, Hasanah Q, Maximus Tulandi S. Computational and Experimental Evaluation of Azadirachta indica Leaf Extract Against Streptococcus pneumoniae and Streptococcus pyogenes. JOTCSA. 2026;(2026-1). doi:10.18596/jotcsa.1800714

Chicago

Hasanah, Nur, Sheila Meitania Utami Sheila Mu, Beny Satria, Nanang Yunarto, Qomariah Hasanah, and Silvester Maximus Tulandi. 2026. “Computational and Experimental Evaluation of Azadirachta Indica Leaf Extract Against Streptococcus Pneumoniae and Streptococcus Pyogenes”. Journal of the Turkish Chemical Society Section A: Chemistry, no. 2026-1. https://doi.org/10.18596/jotcsa.1800714.

EndNote

Hasanah N, Sheila Mu SMU, Satria B, Yunarto N, Hasanah Q, Maximus Tulandi S (February 1, 2026) Computational and Experimental Evaluation of Azadirachta indica Leaf Extract Against Streptococcus pneumoniae and Streptococcus pyogenes. Journal of the Turkish Chemical Society Section A: Chemistry 2026-1

IEEE

[1]N. Hasanah, S. M. U. Sheila Mu, B. Satria, N. Yunarto, Q. Hasanah, and S. Maximus Tulandi, “Computational and Experimental Evaluation of Azadirachta indica Leaf Extract Against Streptococcus pneumoniae and Streptococcus pyogenes”, JOTCSA, no. 2026-1, Feb. 2026, doi: 10.18596/jotcsa.1800714.

ISNAD

Hasanah, Nur - Sheila Mu, Sheila Meitania Utami - Satria, Beny - Yunarto, Nanang - Hasanah, Qomariah - Maximus Tulandi, Silvester. “Computational and Experimental Evaluation of Azadirachta Indica Leaf Extract Against Streptococcus Pneumoniae and Streptococcus Pyogenes”. Journal of the Turkish Chemical Society Section A: Chemistry. 2026-1 (February 1, 2026). https://doi.org/10.18596/jotcsa.1800714.

JAMA

1.Hasanah N, Sheila Mu SMU, Satria B, Yunarto N, Hasanah Q, Maximus Tulandi S. Computational and Experimental Evaluation of Azadirachta indica Leaf Extract Against Streptococcus pneumoniae and Streptococcus pyogenes. JOTCSA. 2026. doi:10.18596/jotcsa.1800714.

MLA

Hasanah, Nur, et al. “Computational and Experimental Evaluation of Azadirachta Indica Leaf Extract Against Streptococcus Pneumoniae and Streptococcus Pyogenes”. Journal of the Turkish Chemical Society Section A: Chemistry, no. 2026-1, Feb. 2026, doi:10.18596/jotcsa.1800714.

Vancouver

1.Nur Hasanah, Sheila Meitania Utami Sheila Mu, Beny Satria, Nanang Yunarto, Qomariah Hasanah, Silvester Maximus Tulandi. Computational and Experimental Evaluation of Azadirachta indica Leaf Extract Against Streptococcus pneumoniae and Streptococcus pyogenes. JOTCSA. 2026 Feb. 1;(2026-1). doi:10.18596/jotcsa.1800714