Evaluation of Antimicrobial Activity and Cytotoxicity Effects of Extracts of Piper nigrum L. and Piperine

Alves, Fabrine Silva; Cruz, Jorddy Neves; Ramos, Ingryd Nayara de Farias; Brandão, Dayse Lúcia do Nascimento; Queiroz, Rafael Nascimento; Silva, Glauce Vasconcelos da; Silva, Gleice Vasconcelos da; Dolabela, Maria Fâni; Costa, Marcondes Lima da; Khayat, André Salim; Rêgo, José de Arimatéia Rodrigues do; Brasil, Davi do Socorro Barros

doi:10.3390/separations10010021

Cited by 37 publications

(14 citation statements)

References 62 publications

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“…Derek software [ 19 , 20 ] classifies potentially toxic compounds into six categories: right, probable, plausible, implausible, improbable, or impossible ( Table 4 ). The compounds were classified in the plausible category.…”

Section: Resultsmentioning

confidence: 99%

Galantamine Based Novel Acetylcholinesterase Enzyme Inhibitors: A Molecular Modeling Design Approach

et al. 2023

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Acetylcholinesterase (AChE) enzymes play an essential role in the development of Alzheimer’s disease (AD). Its excessive activity causes several neuronal problems, particularly psychopathies and neuronal cell death. A bioactive pose on the hAChE B site of the human acetylcholinesterase (hAChE) enzyme employed in this investigation, which was obtained from the Protein Data Bank (PDB ID 4EY6), allowed for the prediction of the binding affinity and free binding energy between the protein and the ligand. Virtual screening was performed to obtain structures similar to Galantamine (GNT) with potential hAChE activity. The top 200 hit compounds were prioritized through the use of filters in ZincPharmer, with special features related to the pharmacophore. Critical analyses were carried out, such as hierarchical clustering analysis (HCA), ADME/Tox predictions, molecular docking, molecular simulation studies, synthetic accessibility (SA), lipophilicity, water solubility, and hot spots to confirm the stable binding of the two promising molecules (ZINC16951574-LMQC2, and ZINC08342556-LMQC5). The metabolism prediction, with metabolites M3-2, which is formed by Glutathionation reaction (Phase II), M1-2, and M2-2 formed from the reaction of S-oxidation and Aliphatic hydroxylation (Phase I), were both reactive but with no side effects. Theoretical synthetic routes and prediction of synthetic accessibility for the most promising compounds are also proposed. In conclusion, this study shows that in silico modeling can be used to create new drug candidate inhibitors for hAChE. The compounds ZINC16951574-LMQC2, and ZINC08342556-LMQC5 are particularly promising for oral administration because they have a favorable drug-likeness profile, excellent lipid solubility, high bioavailability, and adequate pharmacokinetics.

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Section: Resultsmentioning

confidence: 99%

Galantamine Based Novel Acetylcholinesterase Enzyme Inhibitors: A Molecular Modeling Design Approach

et al. 2023

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“…Additionally, ZnO NPs have shown potential in inhibiting bio lm formation, a crucial factor in the pathogenesis of dental infections [22]. PIP, on the other hand, possesses antimicrobial properties and has been reported to enhance the bioavailability and e cacy of various drugs [23]. The synergistic action of ZnO NPs and PIP can enhance the antimicrobial activity against dental pathogens by targeting multiple pathways involved in microbial growth and bio lm formation.…”

Section: Discussionmentioning

confidence: 99%

Targeted piperine-coated zinc oxide nanoparticle induces the biofilm inhibition of dental pathogens and apoptosis of oral cancer through the BCL-2/BAX/P53 signaling pathway

Shaik,

Kandaswamy,

Guru

et al. 2024

Preprint

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Background Dental pathogens, encompassing bacteria, viruses, and fungi, are pivotal in the development of oral health issues such as tooth decay, gum disease, and oral infections. Interestingly, recent research suggests a potential interconnection between dental pathogens and oral cancer, with evidence implicating certain oral pathogens in the initiation and progression of oral malignancies. Given the rising concern of antibiotic resistance and the limitations of conventional treatments, there is a compelling need for innovative therapeutic approaches. Methods The research involved the synthesis and analysis of zinc oxide nanoparticles (ZnO NPs) facilitated by piperine (PIP). Various techniques including UV spectroscopy, SEM, XRD, FTIR, and EDAX were employed to confirm their chemical composition and structural characteristics. Evaluations were conducted on the antioxidant and antimicrobial effectiveness of ZnO-PIP NPs through DPPH, ABTS, and MIC assays. Furthermore, cell viability and regulation of apoptotic gene expression on KB oral squamous carcinoma cells after the treatment were assessed to identify the potential anticancer properties of the ZnO-PIP NPs Results ZnO-PIP NPs showed significant antioxidant activity in both DPPH and ABTS assays, indicating their potential as potent scavengers of free radicals. The identified MIC of 50 μg/mL against dental pathogens highlighted the strong antimicrobial properties of ZnO-PIP NPs. Moreover, interaction analysis revealed the high binding affinity and complex amino acid interactions between ZnO-PIP NPs and receptors on dental pathogens. Additionally, in terms of anticancer activity, ZnO-PIP NPs exhibited a dose-dependent response against Human Oral Epidermal Carcinoma KB cells at concentrations ranging from 5 μg/mL to 100 μg/mL. Furthermore, ZnO-PIP NPs treatment increased the upregulation of crucial apoptotic genes, including BCL2, BAX, and P53, within the KB cells, unraveling the intricate mechanism of apoptotic activity. Conclusions This approach offers a multifaceted solution to combatting both oral infections and cancer, showcasing their potential for significant advancement in oral healthcare.

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“…Research has shown that piperine antimicrobial activity and cytotoxicity effects can be verified through molecular modeling. [ 33 , 34 ] Additionally, molecular modeling can also confirm the clinical therapeutic effects of different components such as geissoschizoline N4-methylchlorine and Eleutherine plicata by simulating molecular docking. [ 35 , 36 ] Consequently, in silico modeling offers the potential to develop new drug candidate ingredients with targeted effects.…”

Section: Discussionmentioning

confidence: 99%

Network pharmacology and molecular docking technology for exploring the effect and mechanism of Radix Bupleuri and Radix Paeoniae Alba herb-pair on anti-hepatitis: A review

Huang,

Yu,

Peng

et al. 2023

Medicine

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The Radix Bupleuri and Radix Paeoniae Alba herb-pair (RRH) are the most classic compatible drug pair for the treatment of hepatitis. However, the underlying mechanism remains unclear. Therefore, network pharmacology and molecular docking were conducted to investigate the prospective therapeutic constituents, targets, and pharmacological mechanisms of RRH in the treatment of hepatitis. The active components of RRH from the TCMSP database and disease-related targets from the OMIM, PharmGkb, GeneCards, TTD, and DrugBank databases were identified. The “drug-target-disease” network diagram and protein–protein interaction (PPI) network were constructed using Cytoscape (v3.8.0) and Online STRING 11.0. GO and KEGG pathway enrichment analyses were performed using R version 4.1.2, and molecular docking was performed to verify the results. We placed 176 overlapping cross genes into Online STRING 11.0 and obtained 14 core targets. A “Component-Target-GO-KEGG” network diagram was constructed, which was composed of 7 components, 14 targets, 10 biological processes, and 10 signal pathways. A total of 2413 GO biological processes and 174 KEGG pathways were explored for hepatitis treatment. Quercetin, kaempferol, isorhamnetin, and beta-sitosterol, which are the main bioactive components, were employed to bind the disease's hub targets, ensuring fulfillment of spatial and energy matching. The anti-hepatitis mechanism of RRH may be associated with several targets including RELA, AKT1, JUN, MAPK1, TP53, CCND1, MYC, NFKBIA, CDKN1A, and their respective signaling pathways. The main bioactive components in RRH, including quercetin, kaempferol, isorhamnetin, and beta-sitosterol, were used to bind the hub targets of the disease, which may provide insights into drug development for hepatitis.

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Evaluation of Antimicrobial Activity and Cytotoxicity Effects of Extracts of Piper nigrum L. and Piperine

Cited by 37 publications

References 62 publications

Galantamine Based Novel Acetylcholinesterase Enzyme Inhibitors: A Molecular Modeling Design Approach

Galantamine Based Novel Acetylcholinesterase Enzyme Inhibitors: A Molecular Modeling Design Approach

Targeted piperine-coated zinc oxide nanoparticle induces the biofilm inhibition of dental pathogens and apoptosis of oral cancer through the BCL-2/BAX/P53 signaling pathway

Network pharmacology and molecular docking technology for exploring the effect and mechanism of Radix Bupleuri and Radix Paeoniae Alba herb-pair on anti-hepatitis: A review

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