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Neolamarckia cadamba (Roxb.) Bosser (Rubiaceae) extracts: promising prospects for anticancer and antibacterial potential through in vitro and in silico studies

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Abstract

Neolamarckia cadamba is an Indian traditional medicinal plant having various therapeutic potentials. In the present study, we did solvent-based extraction of Neolamarckia cadamba leaves. The extracted samples were screened against liver cancer cell line (HepG2) and bacteria (Escherichia coli). MTT cytotoxic assay was performed for in vitro analysis of extracted samples against the HepG2 cell lines and the normal human prostate PNT2 cell line. Chloroform extract of Neolamarckia cadamba leaves showed better activity with IC50 value 69 μg/ml. DH5α strain of Escherichia coli (E. coli) was cultured in Luria Bertani (LB) broth media and minimum inhibitory concentration (MIC) and Minimum bactericidal concentration (MBC) were calculated. Solvent extract chloroform showed better activity in MTT analysis and antibacterial screening and it was taken for characterization of phytocomposition by Fourier transform infrared (FTIR) and gas chromatography mass spectrometry (GC–MS). The identified phytoconstituents were docked with potential targets of liver cancer and E. coli. The phytochemical 1-(5-Hydroxy-6-hydroxymethyl-tetrahydropyran-2-yl)-5-methyl-1H-pyrimidine-2,4-dione shows highest docking score against the targets PDGFRA (PDB ID: 6JOL) and Beta-ketoacyl synthase 1(PDB ID: 1FJ4) and their stability was further confirmed by molecular dynamics simulation studies.

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Acknowledgements

The authors thank the Indian Institute of Information Technology and Aligarh Muslim University for providing the infrastructure needed to conduct this research. We are thankful to BSI, Central Regional Center, Allahabad, for authenticating the plant. We are also thankful to Dr. Ajai Prakash Gupta, Principal Technical Officer, CSIR—Indian Institute of Integrative Medicine Jammu, for GC-MS study.

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Authors and Affiliations

  1. Department of Applied Sciences, Indian Institute of Information Technology Allahabad, Prayagraj, India

    Anamika Mishra, Anirudh Singh, Sintu Kumar Samanta & Nidhi Mishra

  2. Section of Genetics, Department of Zoology, Aligarh Muslim University, Aligarh, India

    Santosh Kumar Maurya & Hifzur Siddique

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  1. Anamika Mishra
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Contributions

The study is conceptualized and designed by AM and NM. The samples were screened for anticancer potential by SKM and HS, and antibacterial screening was done by AS, AM, and SKS. AM performed the in silico analysis and wrote the manuscript, which NM revised. All the authors agreed on the final version of the manuscript.

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Correspondence to Nidhi Mishra.

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Mishra, A., Maurya, S.K., Singh, A. et al. Neolamarckia cadamba (Roxb.) Bosser (Rubiaceae) extracts: promising prospects for anticancer and antibacterial potential through in vitro and in silico studies. Med Oncol 40, 99 (2023). https://doi.org/10.1007/s12032-023-01971-5

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