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

Abstract

Natural origin molecules represent reliable and excellent sources to overcome some medicinal problems. The study of anticancer, anticoagulant, and antimicrobial activities of Thevetia peruviana latex were the aim of the current research. An investigation using high-performance liquid chromatography (HPLC) revealed that the major content of the flavonoids are rutin (11.45 µg/mL), quersestin (7.15 µg/mL), naringin (5.25 µg/mL), and hisperdin (6.07 µg/mL), while phenolic had chlorogenic (12.39 µg/mL), syringenic (7.45 µg/mL), and ferulic (5.07 µg/mL) acids in latex of T. peruviana. Via 1,1-diphenyl-2- picrylhydrazyl (DPPH) radical scavenging, the experiment demonstrated that latex had a potent antioxidant activity with the IC50 43.9 µg/mL for scavenging DPPH. Hemolysis inhibition was 58.5% at 1000 µg/mL of latex compared with 91.0% at 200 µg/mL of indomethacin as positive control. Negligible anticoagulant properties of latex were reported where the recorded time was 11.9 s of prothrombin time (PT) and 29.2 s of the activated partial thromboplastin time (APTT) at 25 µg/mL, compared with the same concentration of heparin (PT 94.6 s and APPT 117.7 s). The anticancer potential of latex was recorded against PC-3 (97.11% toxicity) and MCF-7 (96.23% toxicity) at 1000 μg/mL with IC50 48.26 μg/mL and 40.31 µg/mL, respectively. Disc diffusion assessment for antimicrobial activity recorded that the most sensitive tested microorganisms to latex were Bacillus subtilis followed by Escherichia coli, with an inhibition zone (IZ) of 31 mm with minimum inhibitory concentration (MIC) (10.2 μg/mL) and 30 mm (MIC, 12.51 μg/mL), respectively. Moreover, Candida albicans was sensitive (IZ, 28 mm) to latex, unlike black fungus (Mucor circinelloides). TEM examination exhibited ultrastructure changes in cell walls and cell membranes of Staphylococcus aureus and Pseudomonas aeruginosa treated with latex. Energy scores of the molecular docking of chlorogenic acid with E. coli DNA (7C7N), and Rutin with human prostate-specific antigen (3QUM) and breast cancer-associated protein (1JNX), result in excellent harmony with the experimental results. The outcome of research recommended that the latex is rich in constituents and considered a promising source that contributes to fighting cancer and pathogenic microorganisms.

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

“…Chlorogenic acid exhibited a more potent binding energy than chitosan and pyrocatechol, which was observed as −6.4876 kcal/mol. 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 ].…”

Molecular Interaction Studies and Phytochemical Characterization of Mentha pulegium L. Constituents with Multiple Biological Utilities as Antioxidant, Antimicrobial, Anticancer and Anti-Hemolytic Agents

“…The interactions between almost all atoms in the compounds and amino acid residues of enzymes are shown in Table 8 . The effectiveness of the compounds tested in the current study was evaluated on the basis of docking scores, as described previously [ 24 , 25 ] for other compounds, namely deguelin and its derivatives.…”

“…Recently, the silico protocol was applied to select the most suitable structures for biological observation of active compounds; this protocol was dependent on the correlation among biological activity values of the input structures and the target proteins in pathogenic organisms, cancer cells, etc. [ 20 , 21 , 22 , 23 , 24 , 25 ]. The present investigation was designed to explore the phytochemical characterization of M. pulegium extract by GC-MS and HPLC, studying different biological applications comprising antitumor, antimicrobial, anti-hemolytic and anticoagulant activities.…”

Screening of Bioactive Compounds from Endophytic Marine-Derived Fungi in Saudi Arabia: Antimicrobial and Anticancer Potential

“…A suspension (100 μL) of the WI-38 cell line (5 × 10 3 cell/mL) was plated in microtiter plates (96-well), followed by incubation for 18 h. Subsequently, different doses of filtrate fungal extract were loaded onto each used well and the incubation period was completed, lasting 2 days. To each well, the prepared solution (20 μL) of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (5 mg/mL) was added, followed by incubation for 4 h. The absorbance was recorded at 540 nm to estimate the cytotoxicity activity [ 30 ].…”

“…Aliquots of 70 μL of 0.4% w / v SRB solution were added to PC-3, and then incubated for 10 min in a dark area at 25 °C. With 1% acetic acid, the plates were washed 4 times and then allowed to dry in air for 12 h; subsequently, 150 μL of TRIS (10 mM), required to dissolve the protein-bound SRB stain, was added; at this point, using the BMG LABTECH ® -FLUOstar Omega microplate reader (Ortenberg, Germany), the absorbance was recorded at 540 nm [ 30 ].…”