Evaluation of Biological Potency of two Endemic Species Integrated with in vitro and in silico Approches: LC-MS/MS Analysis of the Plants.

In the present study, the main phytochemical components of endemic plant extracts and inhibitory potency were screened related to different biological activities. Seven compounds were quantified, and cyanidin-3-o-glucoside was the dominant secondary metabolite in the extract of plants. The extract from P. asiae-minoris (PAM) exhibited the best enzyme inhibitory activity against BChE (1.73±0.23 µg mL-1 ), tyrosinase (2.47±0.28 µg mL-1 ), α-glucosidase (5.28±0.66 µg mL-1 ), AChE (8.66±0.86 µg mL-1 ), and ACE (19.27±1.02 µg mL-1 ). In vitro antioxidant assay, PAM extract possessed the highest activity in respect of DPPH radical scavenging (24.29±0.23 µg/mL), ABTS⋅+ scavenging (13.50±0.27 µg/mL) and FRAP reducing power (1.56±0.01 µmol TE/g extract). MIC values ranged from 1-8 mg/mL for antibacterial ability, and the PAM extract showed a stronger effect for B. subtilis, E. faecalis, and E. coli at 1 mg/mL. The antiproliferative ability of A. bartinense (AB) extract demonstrated a suppressive effect (IC50 : 70.26 µg/mL) for pancreatic cancer cell lines. According to the affinity scores analysis, the cyanidin-3-o-glucoside demonstrated the lowest docking scores against ACE, AChE, BChE, and collagenase. It was found that the PAM extract exhibited better inhibitory capabilities than A. bartinense. The P. asiae-minoris plant, reported to be in the Critically Endangered (CR) category, should be conserved by culturing, considering its biological abilities.

Heterocyclic compounds with different moieties: synthesis and evaluation of biological activities assisted with the computational study.

In the present work, heterocyclic compounds containing different moieties, such as pyrazole and thiophene, were synthesized and screened for inhibitory potency against medicinal enzymes and bacterial and cancer (breast and cervical) cell lines. The synthesized compounds have exhibited inhibitory capability against the studied enzymes. Among substances, C3 compound showed AChE and BChE inhibitory potency with the lowest IC50 value of 3.72 ± 0.57 and 1.66 ± 0.22 µM, respectively, in comparison to the standard tacrine. These analogs indicated varying degrees of tyrosinase inhibitory potencies ranging from 1.12 ± 0.50 to 7.70 ± 0.88 µM, and substance C4 was more potent against the enzyme than the reference compound, kojic acid. All four compounds have IC50 values between 37.11 ± 1.56-124.8 ± 2.09 µM for α-glucosidase. It was found that compound C1 exhibited a better antiproliferative activity compared to other substances, with IC50 values at 5.068 and 6.460 µg mL-1 for MCF-7 and HeLa cells, respectively. C1 and C2 compounds had good inhibitory ability against E. faecalis with a MIC value (16 µg mL-Ë¡). Molecular docking analysis showed that C3 has the lowest binding score against α-glucosidase (-8.617 kcal/mol).Communicated by Ramaswamy H. Sarma.

Accumulation of phenolic compounds and expression of phenylpropanoid biosynthesis-related genes in leaves of basil transformed with A. rhizogenes strains.

Biotic factors affect the content of secondary metabolites by interfering with molecular and biochemical pathways. In the current study, A. rhizogenes strains were inoculated into basil (Ocimum basilicum) to examine the effect of plant-microbe interaction on the accumulation of monomeric phenolic metabolites and the transcript levels of selected genes involved in the biochemical synthesis of secondary compounds. Initially, the integration of the rolB gene was validated by performing PCR analysis on genomic DNA samples from the basil plant inoculated with A. rhizogenes strains. We have detected that the accumulation of mRNA transcripts linked to the biosynthesis pathway of phenolic compounds has higher transcript expression levels in the leaves of transformed basil in proportion to uninoculated plants. Basil plants inoculated with A. rhizogenes 39207 strain had higher transcript levels of CAD, C4H, TAT, FLS, EGS, HPPR, PAL, and RAS genes than other experimental groups. We have identified eleven phenolic components, and the level of rosmarinic acid, eugenol, chicoric acid, and rutin increased in the inoculated basil leaves. However, the inoculation of A. rhizogenes did not cause a change in the compounds of chlorogenic acid, methyl chavicol, cinnamic acid, quercetin, vanillic acid, and caffeic acid. In conclusion, the increase in basic secondary metabolites could be achieved by the A. rhizogenes-mediated transformation of basil plants, and especially ATCC 43057 strain may be one of the A. rhizogenes strains. Supplementary Information: The online version contains supplementary material available at 10.1007/s12298-023-01320-w.

A Silver Compound with Potential Applications as an Anticancer, Antibacterial, Antifungal, and Anti-Alzheimer's Agent.

This study investigated the biological activity of the silver coordination compound K-22. The IC50 values of K-22 on cancer cell lines range from 0.797 µg/mL to 3.426 µg/mL, indicating that K-22 might preferably inhibit A549, Saos-2, MCF-7, and HT-29 cell proliferation and thus have better therapeutic activity. Furthermore, K-22 stimulated apoptosis via up-regulation of the mRNA and protein expression level of Bax/Bcl-2 ratio in A549, Saos-2, MCF-7, and HT-29. K-22 exhibited antimicrobial activity against S. aureus, E. faecalis, K. pneumonia, P. aeruginosa, C. utilis, and C. albicans. Experimental results show that the compound has inhibitory potential with an IC50 value of 178.10 µM for the BChE (butyrylcholinesterase) enzyme, which has a vital role in the progression of Alzheimer's disease. As a result, compound K-22 exhibits a strong potential for medical use due to its anticancer, antibacterial, antifungal, and anti-Alzheimer properties.

Turanecio hypochionaeus: Determination of Its Polyphenol Contents, and Bioactivities Potential Assisted with in Silico Studies.

The aim of this study was to identify and quantify the phenolic composition of Turanecio hypochionaeus Bosse and determine the anti-urease, anti-lipase, antidiabetic, anti-melanogenesis, antibacterial, and anti-Alzheimer properties. IC50 results for all enzymes were obtained between 0.234-116.50 µg/mL and this plant inhibited HMG_CoA R and glucosidase enzymes more with IC50 values of 0.234 and 116.50 µg/mL, respectively. Among the 11 secondary metabolites identified in T. hypochionaeus extract, chlorogenic acid 255.459±1.17 µg g-1 ), benzoic acid (56.251±1.98 µg g-1 ), and catechin (29.029±0.27 µg g-1 ) were determined as the most abundant phenolic compounds. According to the results of the tested microorganisms, the plant extracts showed antimicrobial and antifungal properties in a dose-dependent manner. In molecular docking study, the interactions of active compounds extracted from Turanecio hypochionaeus plant and showing activity against diverse metabolic enzymes were examined. The most active compound 1, (chlorogenic acid) has -12.80, -12.80, -12.60 and -12.00 kcal/mol binding energy value against HMG_CoA R, and α-amylase, α-glucosidase, and lipase, respectively.

Polyphenolic compounds: Synthesis, assessment of antimicrobial effect and enzymes inhibition against important medicinal enzymes with computational details.

Phenolic compounds mainly benefit human health and have many biological activities. Their activities are related to their structure, which allows them to interact with enzymes. The inhibition potencies of synthesized polyphenolic compounds (3a and 3b) were investigated on cholinesterases, α­Gly, and tyrosinase activities. The structures of 3a and 3b were determined based on spectral data (NMR, UV-vis, XRD pattern, SEM, and EDX). The compounds have effective inhibitory potential with IC50 value between 2.25 ± 0.35-5.66 ± 0.75 µM and Ki values 2.95 ± 0.37-14.86 ± 4.99 µM for AChE, BChE, and tyrosinase. It was determined that the synthesized compounds have biological activities by the MIC and cytotoxicity tests, and they have IC50 values of 16.15 µg/mL and 12.16 µg/mL for the PC-3 cell line, respectively. According to the calculated molecular docking results, these compounds showed the highest binding energy against AChE and tyrosinase enzymes (-11.3 and -10.4 kcal/mol, respectively). The compounds have synthetic accessibility scores of 2.75 and 4.55 based on the drug-likeness properties.

The interactive effect of aromatic amino acid composition on the accumulation of phenolic compounds and the expression of biosynthesis-related genes in Ocimum basilicum.

Sweet basil (Ocimum basilicum L.), a well-known medicinal and aromatic herb, rich in essential oils and antioxidants (contributed by phenolics), is widely used in traditional medicine. The biosynthesis of phytochemicals occurs via different biochemical pathways, and the expression of selected genes encoding enzymes involved in the formation of phenolic compounds is regulated in response to environmental factors. The synthesis of the compounds is closely interrelated: usually, the products formed in the first reaction steps are used as substrates for the next reactions. The current study attempted a comprehensive overview of the effect of aromatic amino acid composition (AAAs) in Ocimum basilicum in respect to the expression of genes related to the biosynthesis of phenolic compound and their content. The transcript expression levels of EOMT, PAL, CVOMT, HPPR, C4L, EGS, and FLS increased depending on the AAAs concentration compared to the control plants. The highest mRNA accumulation was obtained in EOMT, FLS, and HPPR in the leaves of sweet basil. The expression of the TAT gene in the leaves significantly reduced in response to all AAAs applications compared to untreated groups and it had the lowest transcript accumulation. Eleven individual phenolic compounds were determined in the basil leaves, and the contents of chicoric acid, methyl chavicol, caffeic acid, and vanillic acid increased depending on administered concentration to control (p < 0.05). Additionally, AAAs lead to an incremental change in the amount of chlorogenic acid at 50 and 100 mg kg-1 compared to control plants (p < 0.05). Rutin and rosmarinic acid were detected as the main phenolic compounds in all experimental groups of sweet basil in terms of quantity. However, their amount significantly decreased as compared to control plants based on the increase in AAAs concentrations (p < 0.05). Also, the accumulation of cinnamic acid, eugenol, and quercetin did not significantly change in the leaves of AAAs treated plants compared to control (p < 0.05). When AAAs was applied, total flavonoid content increased in all treatments compared to the control plants, but total phenolic content did not change significantly (p < 0.05). To the best of our knowledge, our work is the first detailed work to evaluate in detail the impact of AAAs on individual phenolic compounds at the phytochemistry and transcriptional levels in the O. basilicum plant. For a detailed understanding of the whole mechanism of phenolic compound regulation, further research is required to fill in some gaps and to provide further clarification.