Objective(s): Gallic acid is a natural phenolic compound found in several fruits and medicinal plants. It is reported to have several health-promoting effects. This review aims to summarize the pharmacological and biological activities of gallic acid in vitro and animal models to depict the pharmacological status of this compound for future studies.Materials and Methods: All relevant papers in the English language were collected up to June 2018. The keywords of gallic acid, antioxidant, anticancer, antimicrobial, gastrointestinal-, cardiovascular-, metabolic-, neuropsychological-, and miscellaneous- diseases were searched in Google Scholar, PubMed, and Scopus.Results: Several beneficial effects are reported for gallic acid, including antioxidant, anti-inflammatory, and antineoplastic properties. This compound has been reported to have therapeutic activities in gastrointestinal, neuropsychological, metabolic, and cardiovascular disorders. Conclusion: Current evidence confirms the pharmacological and therapeutic interventions of gallic acid in multiple health complications; however, available data are limited to just cellular and animal studies. Future investigations are essential to further define the safety and therapeutic efficacy of gallic acid in humans.

https://ijbms.mums.ac.ir/article_12251_1e2b9a1363690fd784d6b16a6d3a5d5a.pdf

Pharmacological effects of gallic acid in health and diseases: A mechanistic review.

In recent years, the outbreak of infectious disease caused by Zika virus (ZIKV) has posed a major threat to global public health, calling for the development of therapeutics to treat ZIKV disease. Here, we have described the different stages of the ZIKV life cycle and summarized the latest progress in the development of small-molecule inhibitors against ZIKV infection. We have also discussed some general strategies for the discovery of small-molecule ZIKV inhibitors.

/pdf/development-of-small-molecule-inhibitors-against-zika-virus-4330u2ztje.pdf

Development of Small-Molecule Inhibitors Against Zika Virus Infection

A new Zika virus (ZIKV) outbreak started in 2015. According to the World Health Organization, 84 countries confirmed ZIKV infection. RNA-dependent RNA polymerase (RdRp) was an appealing target for ...

Molecular docking revealed the binding of nucleotide/side inhibitors to Zika viral polymerase solved structures

Teas can be classified according to their degree of fermentation, which has been reported to affect both the bioactive components in the teas and their antioxidative activity. In this study, four kinds of commercial Taiwanese tea at different degrees of fermentation, which include green (non-fermented), oolong (semi-fermented), black (fully fermented), and Pu-erh (post-fermented) tea, were profiled for catechin levels by using high performance liquid chromatography (HPLC). The result indicated that the gallic acid content in tea was directly proportional to the degree of fermentation in which the lowest and highest gallic acid content were 1.67 and 21.98 mg/g from green and Pu-erh tea, respectively. The antioxidative mechanism of the gallic acid was further determined by in vitro and in silico analyses. In vitro assays included the use of phorbol ester-induced macrophage RAW264.7 cell model for determining the inhibition of reactive oxygen species (ROS) production, and PKCδ and nicotinamide adenine dinucleotide phosphate (NADPH) oxidase subunit (p47) activations. The results showed that only at a concentration of 5.00 μM could gallic acid significantly (p < 0.05) reduce ROS levels in phorbol ester-activated macrophages. Moreover, protein immunoblotting expressed similar results in which activations of PKCδ and p47 were only significantly (p < 0.05) attenuated by 5.00 μM treatment. Lastly, in silico experiments further revealed that gallic acid could block PKCδ activation by occupying the phorbol ester binding sites of the protein.

https://www.mdpi.com/1420-3049/21/10/1346/pdf

Gallic Acid Content in Taiwanese Teas at Different Degrees of Fermentation and Its Antioxidant Activity by Inhibiting PKCδ Activation: In Vitro and in Silico Studies.

Zika virus recently re-emerged and caused global outbreaks mainly in Central Africa, Southeast Asia, the Pacific Islands and in Central and South America. Even though there is a declining trend, the virus continues to spread throughout different geographical regions of the world. Since its re-emergence in 2015, massive advances have been made regarding our understanding of clinical manifestations, epidemiology, genetic diversity, genomic structure and potential therapeutic intervention strategies. Nevertheless, treatment remains a challenge as there is no licensed effective therapy available. This review focuses on the recent advances regarding research models, as well as available experimental tools that can be used for the identification and characterization of potential antiviral targets and therapeutic intervention strategies.

Research Models and Tools for the Identification of Antivirals and Therapeutics against Zika Virus Infection.

Discovery of potential Zika virus RNA polymerase inhibitors by docking-based virtual screening

Bcl-X proteins are the one of the best categorized member of the Bcl-2 protein families which acts as primary regulators of apoptosis in mammalian cells. The Bcl-X proteins are potential anti-cancer drug targets. In this study, the tertiary structure of the beta isoform of the apoptosis regulator Bcl-X in humans (h-Bcl-Xβ) has been predicted by fold-recognition (threading) approach. In silico assessment of the h-Bcl-Xβ protein revealed the characteristic structural features of anti-apoptotic Bcl-2 protein family in h-Bcl-Xβ protein. The predicted model was comprised of BH1-BH4 domains, seven alpha-helices and a C-terminal transmembrane domain for membrane localization and sub-cellular targeting. Quality assessment of the predict model confirmed its reliability as fairly good model. Active sites of h-Bcl-Xβ protein were identified using CASTp server. The future work can be directed towards drug designing for cancer treatment by regulating the activity of h-Bcl-Xβ proteins.

http://www.clbme.bas.bg/bioautomation/2014/vol_18.1/files/18.1_03.pdf

In silico Sequence Analysis, Structure Prediction and Function Annotation of Human Bcl-X Beta Protein

HIV-1 Protease HIV-1 PR enzymes are essential for accurate assembly and maturation of infectious HIV retroviruses. The significant role of HIV-1 protease in viral replication has made it a potential drug target. In the recent past, phytochemical Gallic Acid GA derivatives have been screened for protease inhibitor activity. The present work aims to design and evaluate potential GA-based HIV-1 PR phytoinhibitors by docking approach. The ligands were prepared by ChemDraw and docking was performed in HEX software. In this present study, one of the GA analogues GA4 emerged as a potent drug candidate for HIV-1 PR inhibition, and docking results showed it to be comparable with anti-HIV drugs, darunavir and amprenavir. The GA4 derivative provided a lead for designing more effective HIV-1 PR inhibitors.

Docking analysis of gallic acid derivatives as HIV-1 protease inhibitors

Laccases, a copper oxidase enzyme, has been employed for bioremediation of anthropogenic pollutants in the recent past. Laccase has a broad range of substrate specificity which offers the prospect for screening in numerable xenobiotics. The present study was aimed to use protein-ligand docking as a tool for prediction of biodegradation of selected pharmaceutical pollutants. A comparative study was also done to determine the binding efficacy of bacterial and fungal laccase for those selected pollutants. The laccase- pollutant docking was carried out using HEX software. The docking scores of bacterial and fungal laccase for predefined pollutants were comparable to ABTS, a substrate for laccase, which suggested that laccase might be able to degrade emerging pharmaceutical pollutants. The docking analysis approach can be useful in prediction of binding competence of pharmaceutical pollutants with laccase for in situ laccase-mediated bioremediation.

http://www.clbme.bas.bg/bioautomation/2015/vol_19.4/files/19.4_01.pdf

Anjali Singh

Papers

Discovery of potential Zika virus RNA polymerase inhibitors by docking-based virtual screening

In silico Sequence Analysis, Structure Prediction and Function Annotation of Human Bcl-X Beta Protein

Docking analysis of gallic acid derivatives as HIV-1 protease inhibitors

In silico Analysis for Laccase-mediated Bioremediation of the Emerging Pharmaceutical Pollutants