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Article

Comprehensive Phytochemical Profiling, Biological Activities, and Molecular Docking Studies of Pleurospermum candollei: An Insight into Potential for Natural Products Development

by
Maqsood Ahmed
1,
Kashif-ur-Rehman Khan
1,*,
Saeed Ahmad
1,
Hanan Y. Aati
2,*,
Chitchamai Ovatlarnporn
3,
Muhammad Sajid-ur Rehman
4,
Tariq Javed
5,
Anjum Khursheed
1,
Bilal Ahmad Ghalloo
1,
Rizwana Dilshad
1 and
Maryam Anwar
1
1
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan
2
Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh 11495, Saudi Arabia
3
Department of Pharmaceutical Chemistry, Faculty of Pharmaceutical Sciences, Prince of Songkla University, Hat Yai 90110, Thailand
4
Department of Pharmacognosy, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan
5
Lahore Pharmacy College (LMDC), Lahore 53400, Pakistan
*
Authors to whom correspondence should be addressed.
Molecules 2022, 27(13), 4113; https://doi.org/10.3390/molecules27134113
Submission received: 27 May 2022 / Revised: 23 June 2022 / Accepted: 24 June 2022 / Published: 26 June 2022
(This article belongs to the Special Issue Natural Products for Chronic Diseases: A Ray of Hope)
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Abstract

The purpose of this study was to find the biological propensities of the vegetable plant Pleurospermum candollei by investigating its phytochemical profile and biological activities. Phytochemical analysis was done by spectroscopic methods to investigate the amount of total polyphenols, and biological evaluation was done by the different antioxidant, enzyme inhibitory (tyrosinase, α-amylase, and α-glucosidase), thrombolytic, and antibacterial activities. The highest amount of total phenolic and flavonoid contents was observed in methanolic extract (240.69 ± 2.94 mg GAE/g and 167.59 ± 3.47 mg QE/g); the fractions showed comparatively less quantity (57.02 ± 1.31 to 144.02 ± 2.11 mg GAE/g, and 48.21 ± 0.75 to 96.58 ± 2.30 mg QE/g). The effect of these bioactive contents was also related to biological activities. GCMS analysis led to the identification of bioactive compounds with different biological effects from methanolic extract (antioxidant; 55.07%, antimicrobial; 56.41%), while the identified compounds from the n-hexane fraction with antioxidant properties constituted 67.86%, and those with antimicrobial effects constituted 82.95%; however, the synergetic effect of polyphenols may also have contributed to the highest value of biological activities of methanolic extract. Molecular docking was also performed to understand the relationship of identified secondary metabolites with enzyme-inhibitory activities. The thrombolytic activity was also significant (40.18 ± 1.80 to 57.15 ± 1.10 % clot lysis) in comparison with streptokinase (78.5 ± 1.53 to 82.34 ± 1.25% clot lysis). Methanolic extract also showed good activity against Gram-positive strains of bacteria, and the highest activity was observed against Bacillus subtilis. The findings of this study will improve our knowledge of phytochemistry, and biological activities of P. candollei, which seems to be a ray of hope to design formulations of natural products for the improvement of health and prevention of chronic diseases; however, further research may address the development of novel drugs for use in pharmaceuticals.
Keywords: Pleurospermum candollei; natural compounds; antioxidant; antidiabetic; thrombolytic; antibacterial; pharmaceuticals; molecular docking Pleurospermum candollei; natural compounds; antioxidant; antidiabetic; thrombolytic; antibacterial; pharmaceuticals; molecular docking

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MDPI and ACS Style

Ahmed, M.; Khan, K.-u.-R.; Ahmad, S.; Aati, H.Y.; Ovatlarnporn, C.; Rehman, M.S.-u.; Javed, T.; Khursheed, A.; Ghalloo, B.A.; Dilshad, R.; et al. Comprehensive Phytochemical Profiling, Biological Activities, and Molecular Docking Studies of Pleurospermum candollei: An Insight into Potential for Natural Products Development. Molecules 2022, 27, 4113. https://doi.org/10.3390/molecules27134113

AMA Style

Ahmed M, Khan K-u-R, Ahmad S, Aati HY, Ovatlarnporn C, Rehman MS-u, Javed T, Khursheed A, Ghalloo BA, Dilshad R, et al. Comprehensive Phytochemical Profiling, Biological Activities, and Molecular Docking Studies of Pleurospermum candollei: An Insight into Potential for Natural Products Development. Molecules. 2022; 27(13):4113. https://doi.org/10.3390/molecules27134113

Chicago/Turabian Style

Ahmed, Maqsood, Kashif-ur-Rehman Khan, Saeed Ahmad, Hanan Y. Aati, Chitchamai Ovatlarnporn, Muhammad Sajid-ur Rehman, Tariq Javed, Anjum Khursheed, Bilal Ahmad Ghalloo, Rizwana Dilshad, and et al. 2022. "Comprehensive Phytochemical Profiling, Biological Activities, and Molecular Docking Studies of Pleurospermum candollei: An Insight into Potential for Natural Products Development" Molecules 27, no. 13: 4113. https://doi.org/10.3390/molecules27134113

APA Style

Ahmed, M., Khan, K.-u.-R., Ahmad, S., Aati, H. Y., Ovatlarnporn, C., Rehman, M. S.-u., Javed, T., Khursheed, A., Ghalloo, B. A., Dilshad, R., & Anwar, M. (2022). Comprehensive Phytochemical Profiling, Biological Activities, and Molecular Docking Studies of Pleurospermum candollei: An Insight into Potential for Natural Products Development. Molecules, 27(13), 4113. https://doi.org/10.3390/molecules27134113

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