In vivo biological screening of extract and bioactive compound from Ficus benghalensis L. and their in silico molecular docking analysis

Article type: Research Article

Authors: Abu-Izneid, Tareq^a | Rauf, Abdur^{b; *} | Naz, Saima^c | Ibrahim, Muhammad^a | Muhammad, Naveed^d | Wadood, Abdul^e | Ajmal, Amar^e | Hemeg, Hassan A.^f | Fahad, Shah^g | Thiruvengadam, Muthu^h | Venkidasamy, Baskar^{i; *}

Affiliations: [a] Pharmaceutical Sciences Program, College of Pharmacy, Al Ain University, Al Ain, United Arab Emirates | [b] Department of Chemistry, University of Swabi, Ambar, Pakistan | [c] Institute of Biotechnology and Microbiology, Bacha Khan University, Charsadda, Pakistan | [d] Department of Pharmacy, Abdul Wali Khan University, Mardan, Pakistan | [e] Department of Biochemistry, Abdul Wali Khan University, Mardan, Pakistan | [f] Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Taibah University, Al-Medinah, Al-Monawara, Saudi Arabia | [g] Department of Agronomy, Abdul Wali Khan University, Mardan, Pakistan | [h] Department of Crop Science, College of Sanghuh Life Science, Konkuk University, Seoul, Korea | [i] Department of Oral and Maxillofacial Surgery, Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai, Tamil Nadu, India

Correspondence: [*] Corresponding authors: Abdur Rauf, Department of Chemistry, University of Swabi, Ambar, Pakistan. E-mail: mashaljcs @yahoo.com. Baskar Venkidasamy, Department of Oral and Maxillofacial Surgery, Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai, Tamil Nadu, India. E-mail: [email protected].

Abstract: BACKGROUND:Ficus benghalensis has been used by local health care practitioners to treat pain, inflammation, rheumatism, and other health issues. OBJECTIVE: In this study, the crude extract and diverse fractions, along with the isolated compound of F. benghalensis were examined for their roles as muscle relaxants, analgesics, and sedatives. METHODS: The extract and isolated compound 1 were screened for muscle-relaxant, analgesic, and sedative actions. The acetic acid-mediated writhing model was utilized for analgesic assessment, the muscle relaxant potential was quantified through traction and inclined plan tests, and the open field test was applied for sedative effects. RESULTS: The extract/fractions (25, 50, and 100 mg/kg) and isolated compounds (2.5, 5, 10, and 20 mg/kg) were tested at various doses. A profound (p< 0.001) reduce in the acetic acid-mediated writhing model was observed against carpachromene (64.44%), followed by ethyl acetate (60.67%) and methanol (58.42%) fractions. A marked (p< 0.001) muscle relaxant activity was noticed against the isolated compound (71.09%), followed by ethyl acetate (66.98%) and methanol (67.10%) fractions. Regarding the sedative effect, a significant action was noted against the isolated compound (71.09%), followed by ethyl acetate (66.98%) and methanol (67.10%) fractions. Furthermore, the binding modes of the isolated compounds were explored using molecular docking. The molecular docking study revealed that the isolated compound possessed good binding affinity for COX2 and GABA. Our isolated compound may possess inhibitory activity against COX2 and GABA receptors. CONCLUSION: The extract and isolated compounds of Ficus benghalensis can be used as analgesics, muscle relaxants, and sedatives. However, detailed molecular and functional analyses are essential to ascertain their function as muscle relaxants, analgesics, and sedatives.

Keywords: Ficus benghalensis, Moraceae, carpachromene, analgesic, muscle relaxant, sedative, molecular docking

DOI: 10.3233/THC-231703

Journal: Technology and Health Care, vol. 32, no. 6, pp. 4019-4030, 2024