Role of Ajwa Date Fruit Pulp and Seed in the Management of Diseases through In Vitro and In Silico Analysis

SIMPLE SUMMARY: Most diseases result in an imbalance of antioxidant defense, inflammatory responses, and membrane permeabilization. The current therapeutic modules of disease prevention are not fully effective and have some adverse effects on physiological parameters. In this vista, medicinal plants and their active compounds have proven to be effective against disease prevention and treatment. Ajwa dates have high nutritional value and are reported to possess antioxidant, anti-inflammatory, and antitumor properties. In the current in vitro study, Ajwa fruit pulp and seed extract were found to have strong antioxidant properties, stabilize the RBC membrane, and have a good protective capacity against protein denaturation. Besides this, the seed extract prevents glucose-mediated browning of BSA as well as inhibiting the development of cross-amyloid and AGEs formations. Molecular docking results confirm the interaction between functional residues of antioxidant enzymes and components of Ajwa fruit pulp and seed contents. Therefore, the consumption of Ajwa dates can be beneficial in disease prevention and treatment. However, more detailed study is required based on pharmacological aspects to determine the mechanisms of action of Ajwa dates’ components in disease prevention. ABSTRACT: This study investigated the health-promoting activities of methanolic extracts of Ajwa date seed and fruit pulp extracts through in vitro studies. These studies confirmed potential antioxidant, anti-hemolytic, anti-proteolytic, and anti-bacterial activities associated with Ajwa dates. The EC(50) values of fruit pulp and seed extracts in methanol were reported to be 1580.35 ± 0.37 and 1272.68 ± 0.27 µg/mL, respectively, in the DPPH test. The maximum percentage of hydrogen peroxide-reducing activity was 71.3 and 65.38% for both extracts at 600 µg/mL. Fruit pulp and seed extracts inhibited heat-induced BSA denaturation by 68.11 and 60.308%, heat-induced hemolysis by 63.84% and 58.10%, and hypersalinity-induced hemolysis by 61.71% and 57.27%, and showed the maximum anti-proteinase potential of 56.8 and 51.31% at 600 μg/mL, respectively. Seed and fruit pulp inhibited heat-induced egg albumin denaturation at the same concentration by 44.31 and 50.84%, respectively. Ajwa seed showed minimum browning intensity by 63.2%, percent aggregation index by 64.2%, and amyloid structure by 63.8% at 600 μg/mL. At 100 mg/mL, Ajwa seed extract exhibited good antibacterial activity. Molecular docking analysis showed that ten active constituents of Ajwa seeds bind with the critical antioxidant enzymes, catalase (1DGH) and superoxide dismutase (5YTU). The functional residues involved in such interactions include Arg72, Ala357, and Leu144 in 1DGH, and Gly37, Pro13, and Asp11 in 5YTU. Hence, Ajwa dates can be used to develop a suitable alternative therapy in various diseases, including diabetes and possibly COVID-19-associated complications.