Herbal biomolecules: anticancer agents

Nanda

et al. 2022

JANS

Herbal medicines are an important and growing part of International pharmacopeia. Research and testing enhance our understanding of their medical properties, making them a safer alternative or preferable option to allopathic medication. Plant-derived pharmaceuticals are gaining popularity due to the belief that "green medicine" is safer and more trustworthy than expensive synthetic drugs. This study aimed to evaluate the antimicrobial and anticancer potential of the methanolic leaf extract of Artemisia absinthium against human lung cancer A549 cell line by well diffusion method and MTT assay, respectively. The A. absinthium leaf extract showed the highest activity against Enterococcus faecalis (20 ± 0.7 mm), and Escherichia coli (18 ± 0.8 mm), followed by Pseudomonas aeruginosa (16 ± 0.6 mm), Candida albicans (14 ± 0.9 mm) and Staphylococcus aureus (13 ± 0.8 mm), with MIC values 128, 128, 128, 256 and 256 µg/mL respectively. The methanolic extract of A. absinthium showed significant (p ≤ 0.05) cytotoxicity against the A549 cancer cell line with an IC50 value of 36.8 µg/mL. The present study's findings give strong evidence for using the methanolic leaf extract of A. absinthium as an effective ethnomedicinal agent and a possible candidate for treating various human diseases and a potent bioactive agent in anticancer medications.

Section: Discussionmentioning

confidence: 99%

In vitro evaluation of antimicrobial and anticancer potential of Artemisia absinthium growing in Kashmir Himalayas

Nanda

et al. 2022

JANS

“…Montamine is an indole alkaloid that has been isolated from Asteraceae species, such as Centaurea schischkinii and Centaurea montana. Previous studies have reported its anticancer properties [43,56], but its efficacy against Leishmania has not been investigated. The second best-ranked compound was 6,8-di-C-β-glucopyranosylchrysin (242), a derivative of chrysin obtained from Lychnophora ericoides (Asteraceae).…”

Section: Consensus Analysis Of the Two Vs Approachesmentioning

confidence: 99%

“…Hence, these compounds emerge as interesting antileishmanial candidates, as they exhibit activity across all models and maintain consistency in their probability values. Notably, consensus scoring methods are known to enhance hit rates by diminishing the likelihood of false positives [53][54][55][56][57][58].…”

Section: Consensus Analysis Of the Two Vs Approachesmentioning

confidence: 99%

Machine Learning and Structure-based Virtual Screening for Selecting Cinnamic Acid Derivatives as Leishmania major DHFR-TS Inhibitors

Muñoz-Vega,

López-Hernández,

Sierra-Chavarro

et al. 2023

Preprint

The critical enzyme Dihydrofolate Reductase-Thymidylate Synthase in Leishmania major (LmDHFR-TS) serves a dual-purpose role and is essential for DNA synthesis, a cornerstone of the parasite's reproductive processes. Consequently, the development of inhibitors against LmDHFR-TS is crucial for the creation of novel anti-Leishmania chemotherapies. In this study, we employed an in-house database containing 314 secondary metabolites derived from cinnamic acid that occurred in the Asteraceae family. We conducted a combined ligand/structure-based virtual screening to identify potential inhibitors against LmDHFR-TS. By consensus analysis of both approaches, we identified three compounds, i.e., lithospermic acid (237), diarctigenin (306), and isolappaol A (308), that exhibited a high probability of being inhibitors according to both approaches and were consequently classified as promising hits. Subsequently, we expanded the binding mode examination of these compounds within the active site of the test enzyme through molecular dynamics simulations, revealing a high degree of structural stability and minimal fluctuations in its tertiary structure. The in-silico predictions were then validated through in-vitro assays to examine the inhibitory capacity of the top-ranked naturally-occurring compounds against LmDHFR-TS recombinant protein. The test compounds effectively inhibited the enzyme with IC50 values ranging from 6.1 to 10.1 μM. In contrast, other common cinnamic acid derivatives (i.e., flavonoid glycosides) from the Asteraceae family, such as hesperidin, isovitexin 4′-O-glucoside, and rutin, exhibited low activity against this target. The selective index (SI) for all tested compounds was determined using HsDHFR, with moderate inhibitory effect. Among these hits, lignans 306 and 308 demonstrated the highest selectivity, displaying superior SI values compared to methotrexate, the reference inhibitor of DHFR-TS. Therefore, continued research into the anti-leishmanial potential of these C6C3-hybrid butyrolactone lignans may offer a brighter outlook for combating this neglected tropical disease.

“…22 Plant polyphenols are widely distributed in nature – in the roots and leaves of plants; tannic acid (TA), belonging to a class of water-soluble polyphenols with abundant adjacent phenolic hydroxyls, is their most typical representative. 23 TA has been used in a variety of fields due to its unique structural properties; it comprises plenty of pyrogallol and catechol groups, allowing a plethora of interactions such as covalent interactions of organic and inorganic materials through hydrogen bonding, metal coordination, and interfacial adhesion. 24 By forming metal–polyphenol networks (MPNs), TA as a versatile “green” building block can enhance the adhesion ability of 2D ultrathin g-C 3 N 4 nanosheets to metal ions and hence plays a key role in the stabilization and dispersion of metal nanoparticles during the thermal conversion process.…”

Section: Introductionmentioning

confidence: 99%

Self-assembled hierarchical metal–polyphenol-coordinated hybrid 2D Co–C_TA@g-C₃N₄heterostructured nanosheets for efficient electrocatalytic oxygen reduction

Xiao

Lin

et al. 2022

Catal. Sci. Technol.