{"title":"Biochemical Screening, In-vitro and In-silico Characterization of Citrullus colocynthis Fruit Extracts: A Combined Experimental and Computation Study.","authors":"Syeda Aaliya Shehzadi, Muhammad Ayaz Ashraf, Nusrat Shafiq, Fatima Rida, Aneela Javed, Farhan Younas, Waqar Un-Nisa, Waleed Younus","doi":"10.2174/0113892010332012241027022502","DOIUrl":null,"url":null,"abstract":"<p><strong>Background: </strong>Several medicinal plants are identified as therapeutic agents for the world's most deadly disease cancer. A member of the \"Cucurbitaceae\" family of medicinal plants, Citrullus colocynthis (C. colocynthis) has various pharmacological actions.</p><p><strong>Aims and objectives: </strong>In the present study we have focused on the phytochemical analysis, antimicrobial, anticancer and in silico investigation of fruit extracts of C. colocynthis. The chloroform, pure ethanolic and aq. ethanolic extracts of C. colocynthis whole fruit, peel and pulp separately have been investigated.</p><p><strong>Methods: </strong>The phytochemical analysis revealed the presence of alkaloids, flavonoids, steroids, phenols, saponins and glycosides in various parts of the fruit. Some compounds have been identified using GC-MS analysis by comparing with NIST library data. The antimicrobial activity of all extracts was checked by agar well diffusion method against five different bacterial strains such as A. baumannii, K. pneumonia, S. aureus, P. aeruginosa and E. coli. The zone of inhibition (ZOI) ranged between 11 mm to 27 mm against different strains.</p><p><strong>Results: </strong>The polar solvent extracts (ethanolic and aq. ethanolic extract) of peel showed good sensitivity against all bacterial strains as compared to non-polar solvent (chloroform extract), which showed activity only against Staphylococcus aureus and Pseudomonas aeruginosa. The cytotoxic activity of C. colocynthis all extracts against human brain cancer cell lines (U-87) was assessed using MTT assay.</p><p><strong>Conclusion: </strong>The % cell viability of ethanolic (ET-PL), and aq. ethanolic extract of whole fruit and pulp showed promising results. The cancerous cell line U-87 seems to be more sensitive towards polar solvents (ethanolic and aq. ethanolic) pulp extracts than peel. Further, based on invitro results, compounds identified in ET-PP were screened for their potential as antibacterial and anticancer agents through molecular docking and MMGBSA studies. These studies strongly supported the in-vitro study results and identified new drug candidates.</p>","PeriodicalId":10881,"journal":{"name":"Current pharmaceutical biotechnology","volume":" ","pages":""},"PeriodicalIF":2.2000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Current pharmaceutical biotechnology","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.2174/0113892010332012241027022502","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
Background: Several medicinal plants are identified as therapeutic agents for the world's most deadly disease cancer. A member of the "Cucurbitaceae" family of medicinal plants, Citrullus colocynthis (C. colocynthis) has various pharmacological actions.
Aims and objectives: In the present study we have focused on the phytochemical analysis, antimicrobial, anticancer and in silico investigation of fruit extracts of C. colocynthis. The chloroform, pure ethanolic and aq. ethanolic extracts of C. colocynthis whole fruit, peel and pulp separately have been investigated.
Methods: The phytochemical analysis revealed the presence of alkaloids, flavonoids, steroids, phenols, saponins and glycosides in various parts of the fruit. Some compounds have been identified using GC-MS analysis by comparing with NIST library data. The antimicrobial activity of all extracts was checked by agar well diffusion method against five different bacterial strains such as A. baumannii, K. pneumonia, S. aureus, P. aeruginosa and E. coli. The zone of inhibition (ZOI) ranged between 11 mm to 27 mm against different strains.
Results: The polar solvent extracts (ethanolic and aq. ethanolic extract) of peel showed good sensitivity against all bacterial strains as compared to non-polar solvent (chloroform extract), which showed activity only against Staphylococcus aureus and Pseudomonas aeruginosa. The cytotoxic activity of C. colocynthis all extracts against human brain cancer cell lines (U-87) was assessed using MTT assay.
Conclusion: The % cell viability of ethanolic (ET-PL), and aq. ethanolic extract of whole fruit and pulp showed promising results. The cancerous cell line U-87 seems to be more sensitive towards polar solvents (ethanolic and aq. ethanolic) pulp extracts than peel. Further, based on invitro results, compounds identified in ET-PP were screened for their potential as antibacterial and anticancer agents through molecular docking and MMGBSA studies. These studies strongly supported the in-vitro study results and identified new drug candidates.
期刊介绍：
Current Pharmaceutical Biotechnology aims to cover all the latest and outstanding developments in Pharmaceutical Biotechnology. Each issue of the journal includes timely in-depth reviews, original research articles and letters written by leaders in the field, covering a range of current topics in scientific areas of Pharmaceutical Biotechnology. Invited and unsolicited review articles are welcome. The journal encourages contributions describing research at the interface of drug discovery and pharmacological applications, involving in vitro investigations and pre-clinical or clinical studies. Scientific areas within the scope of the journal include pharmaceutical chemistry, biochemistry and genetics, molecular and cellular biology, and polymer and materials sciences as they relate to pharmaceutical science and biotechnology. In addition, the journal also considers comprehensive studies and research advances pertaining food chemistry with pharmaceutical implication. Areas of interest include:
DNA/protein engineering and processing
Synthetic biotechnology
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Therapeutic biotechnology (gene therapy, peptide inhibitors, enzymes)
Drug delivery and targeting
Nanobiotechnology
Molecular pharmaceutics and molecular pharmacology
Analytical biotechnology (biosensing, advanced technology for detection of bioanalytes)
Pharmacokinetics and pharmacodynamics
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Bioinformatics (computational biopharmaceutics and modeling)
Environmental biotechnology
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Translational immunology (cell therapies, antibody engineering, xenotransplantation)
Industrial bioprocesses for drug production and development
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Special Issues devoted to crucial topics, providing the latest comprehensive information on cutting-edge areas of research and technological advances, are welcome.
Current Pharmaceutical Biotechnology is an essential journal for academic, clinical, government and pharmaceutical scientists who wish to be kept informed and up-to-date with the latest and most important developments.
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