Molecular Docking and Anti-inflammatory Studies on Extracts of Prosopis africana (Guill. & Perr.) Taubert and Parkia biglobossa (Jacq.) Benth (Fabaceae)
Ezea Samson Chukwuemeka *
Department of Pharmacognosy and Environmental Medicine, University of Nigeria, Nsukka, Nigeria.
Osadebe Patience Ogoamaka
Department of Pharmaceutical and Medicinal Chemistry, University of Nigeria, Nsukka, Nigeria.
Ezugwu Christopher Obodoike
Department of Pharmacognosy and Environmental Medicine, University of Nigeria, Nsukka, Nigeria.
Inya-Agha Stella Ifeoma
Department of Pharmacognosy and Environmental Medicine, University of Nigeria, Nsukka, Nigeria.
Ahmed Adebayo Ishola
Department of Biochemistry, University of Ilorin Nigeria, Nigeria.
Ugwoke Christopher Emeka Chukwunonye
Department of Pharmacognosy and Environmental Medicine, University of Nigeria, Nsukka, Nigeria.
Odoh Estella Uchenna
Department of Pharmacognosy and Environmental Medicine, University of Nigeria, Nsukka, Nigeria.
Asogwa Tobechukwu Nnaemeka
Central Research Analytical and Environmental Laboratory, Ilorin, Nigeria.
Okoye Festus Basden Chiedu
Department of Pharmaceutical and Medicinal Chemistry, Nnamdi Azikiwe University, Awka, Nigeria.
*Author to whom correspondence should be addressed.
Abstract
Context: Prosopis africana and Parkia biglobossa have been used since ancient times in Sierra Leone, Mali, Uganda and Nigeria in the treatment of anti-inflammatory related diseases.
Aims: To evaluate the anti-inflammatory potentials of methanolic extracts and fractions of Prosopis africana, and Parkia biglobosa using in vivo and in silico methods.
Methods: Their pulverized stem barks were extracted with methanol using Soxlet extraction technique. The crude extracts, CMEPR and CMEPK were partitioned into n-hexane, ethylacetate and methanol fractions. The extracts and fractions were subjected to anti-inflammatory studies using egg albumin and Xylene inflammatory models. Molecular docking was carried out on compounds identified via GC-MS with the aid of Vina. Molecular interactions between outstanding compounds and target enzymes was viewed using Discovery Studio Visualizer, 2020. The phytochemical analysis was carried out using standard method.
Results: The results obtained from both egg albumin and Xylene inflammatory models revealed dose dependent inhibition of edema in both plants with the greatest inhibition observed at higher doses. CMEPR: 23.65%, 35.89%, 69.23% (egg albumin model); 48.65%, 64.86%, 78.38% (Xylene model), CMEPK: 33.33%, 46.15%, 73.08% (egg albumin model); 67.57%, 78.37%, 91.89% (Xylene model) for 100,200 and 400 mg/kg respectively. The ethylacetate fraction of Parkia biglobosa exhibited the highest edema inhibition (94.59%) comparable with the standard drug Piroxicam (89.18%). Molecular docking revealed l-(+)-ascorbic acid 2,6-dihexadecanote as a potent inhibitor of both cyclooxygenase-2 (Cox-2) and tumor necrosis factor alpha (TNF-α) with a binding affinity of -12.6 and -9.0 kcal/mol respectively compared to standard drugs.
Conclusions: This study revealed that methanolic extracts of Prosopis africana, and Parkia biglobosa possess promising anti-inflammatory properties with a mechanism of action that may involve the inhibition of Cox-2 and TNF-α. Further research is needed to identify the active compounds responsible for the activities observed.
Keywords: Skeletal fluorosis, Prosopis Africana, fluoride level, Parkia biglobossa, drinking water, anti-inflammatory studies, sex & age, In silico analysis, people, molecular docking, Unnao district