From Traditional Use to Molecular Mechanisms: A Bioinformatic and Pharmacological Review of the Genus Kalanchoe with In Silico Evidence

Molecular phylogeny of the genus Kalanchoe (Crassulaceae) inferred from nucleotide sequences of the ITS-1 and ITS-2 regions

The aim of this study was to detect relationships of bioactive properties (antibacterial, antifungal, antiviral antimitotic and cytotoxic activities) of Mediterranean littoral sponges with some of their biological characteristics (growth habits, presence of symbiotic or epibiotic organisms, structural defences) and their systematic position. Antimitotic and cytotoxic activities were present in 80.6% and 73.6% of the species respectively, 42.2% of the species showed antibacterial activity, 29.8% were antiviral and 22.5% were antifungal. Only antiviral and antifungal activities were significantly dependent on taxonomical order, being especially important in the Axinellida. Antiviral, antifungal and antibacterial activities predominated in erect forms, and were poorly represented in encrusting forms, which, however, included a higher percentage of cytotoxic and antimitotic species. Nevertheless, only antiviral activity was significantly related to growth habit. All types of activities were significantly dependent on sponge skeletal features: the highest percentages of species with cytotoxic activity were found among horny and siliceous sponges. Also, antiviral and antibacterial activities were better represented in horny sponges. Antibacterial, antifungal and antiviral activities were dependent on the presence/absence of epibionts and seemed to be more efficient as antifouling defences than antimitotic and cytotoxic activities. Only cytotoxic activity was significantly more wide-spread in species harbouring cyanophyceae. Correspondence analysis revealed that cytotoxic and antimitotic activities were both related to encrusting forms, a siliceous skeleton, occasional epibiosis and the presence of cyanophyceae. Antifungal, antibacterial and antiviral activities were mainly related to erect or globular form, siliceous and horny skeleton and habitual (species-specific) epibiosis.

Medicinal plants have been used throughout civilizations, accumulating empirical knowledge for treatment and prevention of diseases and often incorporate plant derivatives into treatments. Plants contain a variety of chemical compounds, classified as primary and secondary metabolites. These substances have applications in the pharmaceutical industry, colorants, and flavorings due to their beneficial properties. Thus, the genus Kalanchoe has several applicabilities in ethnomedicine. The objective of the work is to show the medicinal use of the extract of plant species of the genus kalanchoe, as treatments of diseases in articles from the years 2013 to 2023. It has shown anti-inflammatory, antitumor, healing, antidiabetic, antiulcerogenic, antihypertensive, detrusor relaxant, neuroprotective, antiviral, antimicrobial, antiasthmatic, antitussive and nephroprotective action.

Unveiling the therapeutic potential of Canavalia rosea leaves: Exploring antioxidant, anti-inflammatory, anti-arthritic, and cytotoxic activities through biological and molecular docking evaluation with DFT analysis

BackgroundIt has been observed that the various part of Baccaurea ramiflora plant is used in rheumatoid arthritis, cellulitis, abscesses, constipation and injuries. This plant also has anticholinergic, hypolipidemic, hypoglycemic, antiviral, antioxidant, diuretic and cytotoxic activities. The present studyaimed to assess the cytotoxic, analgesic, anti-inflammatory, CNS depressant and antidiarrheal activities of methanol extract of Baccaurea ramiflora pulp and seeds in mice model.MethodsThe cytotoxic activity was determined by brine shrimp lethality bioassay; anti-nociceptive activity was determined by acetic acid-induced writhing, formalin- induced licking and biting, and tail immersion methods. The anti-inflammatory, CNS depressant and anti-diarrheal activities were assessed by carrageenan-induced hind paw edema, the open field and hole cross tests, and castor oil-induced diarrheal methods, respectively. The data were analyzed by one way ANOVA (analysis of variance) followed by Dunnett’s test.ResultsIn brine shrimp lethality bioassay, the LC50 values of the methanol extracts of Baccaurea ramiflora pulp and seed were 40 μg/mL and 10 μg/mL, respectively. Our investigation showed that Baccaurea ramiflora pulp and seed extracts (200 mg/kg) inhibited acetic acid induced pain 67.51 and 66.08%, respectively (p < 0.05) that was strongly comparable with that of Ibuprofen (72%) (p < 0.05). The Baccaurea ramiflora pulp and seed extracts (200 mg/kg) significantly (p < 0.05) reduced 58.5 and 53.4 in early and 80.8%, 76.61% in late phase of formalin-induced licking and biting. At 60 and 90 min pulp and seed extracts (200 mg/kg) inhibited nociception of thermal stimulus 50.16 and 62.4%, respectively (p < 0.05) which was comparable with the standard (morphine, 75.9% inhibition). The pulp and seed extracts (200 mg/kg) significantly (p < 0.05) reduced inflammation (42.00 and 55.22%, respectively) in carrageenan-induced hind paw edema and defecations (59.7 and 63.03%, respectively) in castor oil induced diarrhea. Both the extracts showed high sedative activity at 30, 60, 90, and 120 min.ConclusionOur investigation demonstrated significant cytotoxic, analgesic, anti-inflammatory, CNS depressant and antidiarrheal activities of methanol extract of Baccaurea ramiflora pulp and seeds (200 mg/kg).

Although it is widely assumed that Friedrich Welwitsch, who collected about 10,000 specimens in Angola during a seven-year period in the mid-1800s, only proposed names that were validly published by other authors in the Flora of Tropical Africa (FTA), he also provided Latin descriptions that were attached to the specimens. These descriptions were translated into English and used in FTA. Welwitsch was therefore the only author of those names. As a case study, the nomenclature of new species published in the FTA in the genus Kalanchoe (Crassulaceae subfam. Kalanchooideae) is presented. When all the internal evidence in the relevant FTA volume is taken into account, the authorship of all the Kalanchoe species names, bar one, K. welwitschii, which was published by Britten exclusively, is Welwitsch only, and not “Welwitsch ex Britten” or “Welwitsch ex Oliver” as usually cited. Kalanchoe coccinea and K. brachyloba, whose distributions extend beyond Angola, have type localities in that country, and were also based on Welwitsch’s descriptions. An itinerary of Welwitsch’s Angolan expedition and maps showing the areas where he collected in the country are provided. Type localities from where Welwitsch collected the Kalanchoe species published in FTA are placed on the map. The typification of seven Kalanchoe names is clarified, some through correcting previous designations and, where required, second-step lectotypifications.

Genus Kalanchoe comprises hundred species. Different extracts of these Kalanchoe species have been widely used in traditional medicine. Recently it has been reported that Kalanchoe extracts possess various biological activities viz. antiviral, sedative, antiulcer, immunomodulatory, antileishmanial, CNS depressant, anti-inflammatory, thyroid peroxidase inhibitor, cytotoxic, hepatoprotective, antioxidant, analgesic, anticonvulsant, antimicrobial, inhibition of B cell development, cardiovascular, antihyperglycemic, acetylcholinesterase inhibition, insecticidal and larvicidal activities. Earlier studies on different Kalanchoe species have reported the isolation of polysaccharides, flavonoids, sterols, ascorbic acid, trace elements, organic acids, hydrocarbons, triterpenoids, phenolic components and bufadenolides. This review presents the botany, chemistry, traditional uses and pharmacological data of genus Kalanchoe.

Preliminary screening of Cuscuta reflexa stems for Anti inflammatory and cytotoxic activity

Objectives The aim of this study was to evaluate comparative and structure–activity relationships of in-vitro cytotoxicity, antiviral and antioxidant activities of soyasapogenols A, B, D and F (SSA, SSB, SSD and SSF) together against the total soyasaponin extract (TSSE) itself. Methods The cytotoxicity of soyasapogenols and TSSE against human colon carcinoma cell line (HCT-116), liver carcinoma cell line (Hep-G2), human breast carcinoma cell line (MCF-7) and normal human melanocytes (HFB-4) cell lines was assessed using sulforhodamine B assay. Their antiviral activities were investigated against Rift Valley fever virus (RVFV), hepatitis C virus model (vesicular stomatitis virus, VSV), and hepatitis A virus (HAV). The antioxidant activity of soyasapogenols and TSSE was assessed using a stable DPPH free radical. Results and conclusion The results obtained showed that both TSSE and soyasapogenols have a potent cytotoxic effect on Hep-G2, HCT-116, MCF-7 and HBF-4 cell lines in a concentration-dependent manner. SSA and SSF showed the highest cytotoxic activities against tested cell lines. Analysis of the three-dimensional structure of the measured soyasapogenols indicated that if the β-hydroxyl group at C-21 or C-22 was aligned with the plane of the molecule, a marked increase in the cytotoxic activity of the soyasapogenol was produced. Their antiviral activities against RVFV, VSV and HAV showed significant inhibition activities compared with both TSSE and interferon. SSB showed the best activity against RVFV and HAV, whereas SSA was the best inhibitor against VSV. It was concluded that the hydroxylation at C-21 as well as the presence of a double bond in ring D might enhance anti-VSV activity, whereas they may not be essential for anti-RVFV and anti-HAV activities. On the other hand, the tested soyasapogenols and TSSE did not show good antioxidant activities.

Chemical constituents with cytotoxic and anti-inflammatory activity in Hypericum sampsonii and the antitumor potential under the view of cancer-related inflammation

Japanese encephalitis (JE) is a mosquito-borne flavivirus infection, a major cause of viral encephalitis in South-East Asia with a CFR of ~30% and no specific treatment. Therefore, a novel belladonna formulation (BCT) was prepared and its antiviral and anti-inflammatory activity was elucidated during Japanese encephalitis virus (JEV) infection. Anti-JEV role of BCT was investigated aiming to prevent the infection in the peripheral immune cells. Antiviral activity of BCT was evaluated by plaque reduction assay, cell survival and apoptosis assay. BCT-mediated reduction in JEV-envelope expression was measured by indirect immunofluorescence, RT-PCR and Western blot assays. NF-κB expression and p65 nuclear translocation assays were determined to explore the mechanism of the action of BCT. TNF-α level was measured to evaluate the anti-inflammatory role of BCT during JEV infection. Consequently, molecular docking was performed with the TRAF2-TRADD complex. Our data suggested that BCT treatment reduces the JEV-plaque formation, JEV-induced cytopathic effects and increases cell survival. The antiviral effect of BCT was confirmed by reduction in the JEV-envelope protein expression. Moreover, BCT treatment and prevents the NF-κB activation via preventing the nuclear translocation of p65 and reduces the TNF-α levels. Our molecular docking analysis suggested that belladonna alkaloids interfere with the TRAF2-TRADD complex that results in inhibition of TNF-induced NF-κB signaling. For the first time, our data suggested that BCT reduces JEV expression and interferes with TNF-induced NF-κB signaling, thereby increasing cell survival via preventing the p65 nuclear translocation and may be used for the treatment and prevention of JE. Abbreviation: CFR: Case fatality rate; CAM: Complementary and alternative medicines; COX-2: Cyclooxygenase-2; IκB: Inhibitor kappa B; JE: Japanese encephalitis; JEV: Japanese encephalitis virus; NF-κB: Nuclear factor kappa-light-chain-enhancer of activated B cells; ORF: Open reading frame; TNFR: Tumor necrosis factor receptor; TNF-α: Tumor necrosis factor-α; TRADD: TNFR1-associated death domain protein; TRAF2: TNF Receptor Associated Factor 2.

Objective Senecio asirensis, an endemic species of Saudi Arabia, has been traditionally used to treat various ailments. The present study aimed to investigate the phytochemical composition, antimicrobial activity, and cytotoxic potential of Senecio asirensis fractions, and to identify the main compounds in the extract that are the most active. Methods The antimicrobial activity was evaluated using disc diffusion assay. Moreover, the cytotoxic activity evaluated using the MTT assay in various cancer cell lines (MCF-7, HepG2, and A549) and validated by molecular docking for the major compound of the most active fraction. Finally, gas chromatography and a mass spectrometer (GC-MS) analysis was carried out to identify the chemical compounds in hexane extract of Senecio asirensis. Results The hexane fraction exhibited significant antimicrobial activity against Gram-positive bacteria ( S. aureus) and yeast organisms ( C. albicans and C. tropicalis), while chloroform and butanol fractions showed no activity against the tested microbial strains. Moreover, in the cytotoxic activity assay, notably, the hexane fraction showed a significantly higher cytotoxic effect on MCF-7. The GC-MS analysis of the hexane fraction revealed the presence of 26 phytoconstituents, with nonacosane being the most abundant compound. Therefore, the molecular docking was employed to validate the cytotoxic activity for the major compound of the most active fraction (nonacosane) against human DNA topoisomerase IIa. Conclusion These findings provide a scientific basis for the traditional use of S. asirensis in medicine and suggest that its bioactive compounds have potential therapeutic applications in anticancer treatments. Further research is needed to isolate and characterize other active compounds and to explore potential synergistic effects among them.

Phenolic profiling and in vitro bioactivities of three medicinal Bryophyllum plants

Background: Ficus benjamina L., commonly known as the weeping fig, is a plant traditionally used for various medicinal purposes, particularly in Southeast Asia. Despite its widespread use, there is a scarcity of scientific data validating its therapeutic properties, especially its anti-inflammatory and anticancer potentials. Objective: This study aimed to investigate the phytochemical profile of Ficus benjamina L. and to evaluate its anticancer and anti-inflammatory activities to provide a scientific basis for its traditional uses. Methods: The plant materials were collected and subjected to extraction using methanol and dichloromethane. The extracts were analyzed for primary and secondary metabolites. The anticancer activity was tested using the MTT assay on HeLa cells, and anti-inflammatory activity was assessed using a luminol-enhanced chemiluminescence method. Data analysis was conducted using IBM SPSS Statistics Version 25, focusing on inferential statistics to compare the bioactivity of the extracts against standard drugs. Results: Phytochemical analysis confirmed the presence of proteins, lipids, carbohydrates, alkaloids, flavonoids, and tannins. The dichloromethane extract showed significant anti-inflammatory activity with 58.6% inhibition at a concentration of 50 µg/ml and an IC50 of 8.966±1.03. The methanol extract exhibited minimal anticancer activity with an 8.3% inhibition rate at 30 µg/ml, suggesting low efficacy against HeLa cells compared to the standard drug, Doxorubicin, which showed a 101.2% inhibition. Conclusion: The study confirms that Ficus benjamina L. contains bioactive compounds with potential anti-inflammatory benefits and limited anticancer activity. These findings support the traditional use of the plant in treating inflammatory conditions and highlight the need for further research to optimize extraction techniques and expand biological testing.

Substituted ethoxy phthalimide pyrazole derivatives (6a–e) have been produced using a one-pot synthesis technique. Spectral analysis was used to establish the molecular structure of the synthesized compounds, and they were examined in silico and in vitro for their ability to bind to and inhibit replication of the AD-169 strain, the Davis strain of CMV, the OKA strain and the 07/1 strain of Varicella-Zoster virus (VZV). Molecular Docking was used to estimate the binding mechanism and energy of compounds 4, 6a–e to their respective target proteins, thymidine kinase (TK), Varicella-Zoster protease (VZP) of VZV and tegument protein pp71 (TPpp71) of Cytomegalovirus (CMV). The MIC50 and EC50 were utilized to evaluate the antiviral and cytotoxic activities of test compounds in human embryonic lung (HEL) cells against the two reference medicines, Ganciclovir and Acyclovir. The chemicals studied showed a high affinity for binding sites and near binding sites of target proteins by generating H-bonds, carbon-hydrogen bonds, π-anion, π-sulfur, π-sigma, alkyl and π-alkyl interactions. All of the test compounds (6a–e) had higher binding energy than the standard medications. The ADME/T data suggests that these potential inhibitors are less toxic. Drug-protein complexes are structurally compact and demonstrate minimal conformational change in molecular dynamics (MDs) simulations, indicating stability and stiffness. MM-PBSA and post-simulation analysis can predict lead compound active cavity binding stability. By inhibiting multitargeted proteins, these synthetic compounds may improve antiviral therapy. Our research suggests that these unique synthesized chemicals may be useful and accessible adjuvant antiviral therapy for Varicella Zoster and CMV. Highlights Two components synthesis of substituted ethoxy phthalimide pyrazole derivatives (6a–e). Tested compounds (6a–e) have antiviral and cytotoxicity activity against CMV and Varicella-Zoster virus (VZV) in HEL cells. Compounds bind to TK, Varicella-Zoster protease (VZP) of VZV, and modeled TPpp71 of Cytomegalovirus (CMV). In comparison to reference drugs, compounds have strong binding free energy and interactions with VZV and CMV protein complexes. The RMSD, RMSF, Rg, residual correlative motion (RCM), No. of hydrogen bonds, protein secondary structure content, per-residue protein secondary structure and MM/PBSA energy calculated for the selected compound with thymidine kinase (TK), VZP of VZV, and modeled tegument protein pp71 (TPpp71) of CMV through MD simulation studies for 50 ns. In comparison to the two reference drugs, ligands/compounds were found to meet the Lipinski rule of five and to have strong biological activity. Communicated by Ramaswamy H. Sarma