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Chemical analysis and in silico anticancer and anti-inflammatory potentials of bioactive compounds from Moringaoleifera seed oil

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Abstract

Breast and prostate cancers are the first and second most leading cause of mortality and morbidity in women and men respectively. Today lots of drugs are available for treatment but their adverse effect, potentially distressing toxicity only add to patient discomfort and limits their use. Identification of novel sources for developing new anticancer drugs with little or no side effect is imperative. In vitro antioxidant activities crude and degummed Moringa oleifera seed oil were determined using standard methods. Fatty acid and phytosterols were identified through GC–MS. Molecular docking studies was performed to investigate the binding interactions between natural compounds and five various anti-cancer drug targets. Also the proteins were docked to standard inhibitors and the binding affinities were determined. Molecular interactions between proteins and ligands were viewed with discovery studio 4.5. The binding energy was compared with the known inflammatory, breast and prostate cancer inhibitory drugs namely: exemestane, talazoparib, pictilisib, thalidomide and Z-IETD-fmk. Crude oil exhibited more potent antioxidant activities than the degummed oil. Minerals and vitamins were reduced after degumming. Phytosterol showed that β-Sitosterol is the predominant phytosterol which was higher in the degummed oil. β-Sitosterol displayed the best inhibitory activity against the standard inhibitors except Z-IETD-fmk; while oleic acid exhibited poor binding energy when compared with the standard inhibitors except thalidomide. β-Sitosterol played a promising role against breast and prostate cancer protein targets and hence can act as a template for further studies as cancer drug candidates.

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Acknowledgement

Authors express their appreciation to the staff and members of Central Research Laboratories Illorin for providing us with facilities for this study.

Funding

There was no external or internal grant for this study.

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Authors and Affiliations

  1. Department of Biochemistry, University of Nigeria, Nsukka, Nigeria

    Victor O. Apeh, Felicia I. Chukwuma & Florence Nwora

  2. Central Research Laboratories, Illorin, Kwara State, Nigeria

    Emeka Asogwa

  3. Department of Biochemistry, Plateau State University, Jos, Nigeria

    Obiora F. Okonkwo

  4. Upper Room Ministries Ugwu-omu Nike, Enugu, Nigeria

    Rosemary Uke

Authors
  1. Victor O. Apeh
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  2. Emeka Asogwa
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  3. Felicia I. Chukwuma
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  4. Obiora F. Okonkwo
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  5. Florence Nwora
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  6. Rosemary Uke
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Contributions

VOA and EA performed the experiment, VOA and EA designed the experiment and wrote the manuscript, OO and FIC performed the GC–MS part, FN helped in the interpretation of the results, UR provided the seed from their farm. All the authors read the manuscript and have approved the final version of the manuscript.

Corresponding author

Correspondence to Victor O. Apeh.

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Ethical statement

The manuscript does not contain any data regarding human or animal objects so no need of approval from ethical committee and consent from participants.

Conflict interest

Victor O. Apeh has no conflict of interest. Emeka Asogwa has no conflict of interest. Felicia I. Chukwuma has no conflict of interest. Obiora F. Okonkwo has no conflict of interest. Florence Nwora has no conflict of interest. Uke Rosemary has no conflict of interest.

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Apeh, V.O., Asogwa, E., Chukwuma, F.I. et al. Chemical analysis and in silico anticancer and anti-inflammatory potentials of bioactive compounds from Moringaoleifera seed oil. ADV TRADIT MED (ADTM) 22, 59–74 (2022). https://doi.org/10.1007/s13596-020-00521-y

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  • DOI: https://doi.org/10.1007/s13596-020-00521-y

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