Anticancer, antioxidant, antiviral and antimicrobial activities of Kei Apple (Dovyalis caffra) fruit

Abstract

Secondary plant metabolites remain one of the key sources of therapeutic agents despite the development of new approaches for the discovery of medicinal drugs. In the current study, chemical analysis, and biological activities of Kei apple (Dovyalis caffra) methanolic extract were evaluated. Chemical analysis was performed using HPLC and GC–MS. Antiviral and anticancer effect were assessed using the crystal violet technique and activity against human liver cells (HepG2), respectively. Antibacterial activity was tested with the disc diffusion method. The obtained results showed that chlorogenic acid (2107.96 ± 0.07 µg/g), catechin (168 ± 0.58 µg/g), and gallic acid (15.66 ± 0.02 µg/g) were the main bioactive compounds identified by HPLC techniques. While, compounds containing furan moieties, as well as levoglucosenone, isochiapin B, dotriacontane, 7-nonynoic acid and tert-hexadecanethiol, with different biological activities were identified by GC–MS. Additionally, inhibition of 2,2-diphenyl-1-picryl-hydrazyl-hydrate (DPPH) scavenging was 79.25% at 2000 µg/mL, indicating its antioxidant activity with IC50 of 728.20 ± 1.04 µg/mL. The tested extract exhibited potential anticancer activity (58.90% toxicity) against HepG2 cells at 1000 µg/mL. Potential bacterial inhibition was observed mainly against Escherichia coli and Proteus vulgaris, followed by Staphylococcus aureus and Bacillus subtilis with a diameter of growth inhibition ranging from 13 to 24 mm. While weak activities were recorded for fungi Candida albicans (10 mm). The extract showed mild antiviral activity against human coronavirus 229E with a selective index (SI) of 10.4, but not against human H3N2 (SI of 0.67). The molecular docking study's energy ratings were in good promise with the experiment documents of antibacterial and antiviral activities. The findings suggest that D. caffra juice extract is a potential candidate for further experiments to assess its use as potential alternative therapeutic agent.

Rosmarinus officinalis L. hexane extract: phytochemical analysis, nanoencapsulation, and in silico, in vitro, and in vivo anti-photoaging potential evaluation

“…However, it is much less than the DPPH scavenging capacity of rosemary essential oil (IC 50 of 77.6 µL/mL) 64 . Meanwhile, it is worth mentioning that this antioxidant activity is comparable and even superior to published antioxidant properties of phenolics rich extracts 65 , 66 .…”

Molecular Docking and Efficacy of Aloe vera Gel Based on Chitosan Nanoparticles against Helicobacter pylori and Its Antioxidant and Anti-Inflammatory Activities

“…In a recent study, chlorogenic acid had a strong interaction with the active site bound to chain (A) of the E.coli 7C7N protein, and its energy value was −6.0422 kcal mol - [ 49 ]. In addition, a molecular docking report indicated the appearance of a superior negative score of free binding energy as a result of the application of chlorogenic acid on Proteus vulgaris and Human coronavirus (HCoV 229E), validating its application for inhibiting the bacterial and viral propagation [ 50 ]. A list of hydrogen bonds between all compounds with the examined protein is presented in Table 6 .…”

Anticancer, Anticoagulant, Antioxidant and Antimicrobial Activities of Thevetia peruviana Latex with Molecular Docking of Antimicrobial and Anticancer Activities

“…The best possible conformations of compounds inside the protein central activity are illustrated in Table 5 ; the quality and binding energy of the tested compounds with the molecules of the biological targets were documented via the consensus scoring function values. Molecular docking study was recently conducted using chlorogenic acid on Proteus vulgaris and human coronavirus (HCoV 229E) with a negative score of free binding energy appearing greater, demonstrating the utilization of chlorogenic acid as an antibacterial and antivirus agent [ 23 ].…”

“…MOE’s BUILDER module was used to create the structural model, and the optimization conformational evaluations of the generated molecules were conducted in two steps. The geometry of the compounds was optimized using the semiempirical PM3 Hami-ltonian with Restricted Hartree-Fock (RHF) and RMS gradient of 0.05 Kcal/mol, as well as the integrated MOPAC 7.0 energy minimization tool [ 23 ].…”