Docking studies and network analyses reveal capacity of compounds from Kandelia rheedii to strengthen cellular immunity by interacting with host proteins during tuberculosis infection

Zaman, Asif

doi:10.6026/97320630081012

Cited by 6 publications

(4 citation statements)

References 42 publications

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“…While emodin is present in many plant families [ 8 ], skyrin is rare and has been found only in H. perforatum [ 10 ], the mangrove Kandelia rheedii Wight & Arn. [ 22 ], and Ventilago leiocarpa Benth. (Rhamnaceae) [ 23 ].…”

Section: Discussionmentioning

confidence: 99%

Phenotyping the genus Hypericum by secondary metabolite profiling: emodin vs. skyrin, two possible key intermediates in hypericin biosynthesis

Kimáková

Idkowiak

et al. 2018

Anal Bioanal Chem

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A wide range of compounds that occur in the genus Hypericum are listed as effective drugs of natural origin. The main biological activities of several Hypericum representatives are due to the presence of naphthodianthrones, phloroglucinols, and other diverse groups of secondary metabolites that synergistically contribute to their therapeutic effects. The regulation of biosynthesis of hypericin as the key bioactive naphthodianthrone remains uncertain. Here, we present liquid chromatography mass spectrometry-based phenotyping of 17 Hypericum species, the results of which suggest an important role for skyrin and its derivatives in the polyketide pathway that leads to hypericin formation. Moreover, we report for the first time the presence of new metabolites in the genus Hypericum that are related to classes of anthraquinones, their derivatives, and phloroglucinols. As skyrin and other species of anthraquinones are rarely found in higher plants but frequently occur in fungal microorganisms, the obtained results suggest that further research on the synthesis pathways of hypericin and the role of anthraquinone derivatives in plant metabolism should be carried out. The fact that these compounds are commonly synthesized in endophytic fungi and perhaps there is some similarity in the metabolic pathways between these organisms should also be investigated.Electronic supplementary materialThe online version of this article (10.1007/s00216-018-1384-0) contains supplementary material, which is available to authorized users.

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Section: Discussionmentioning

confidence: 99%

Phenotyping the genus Hypericum by secondary metabolite profiling: emodin vs. skyrin, two possible key intermediates in hypericin biosynthesis

Kimáková

Idkowiak

et al. 2018

Anal Bioanal Chem

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“…K. rheedii has been used for tuberculosis treatment in India [94]. Revathi et al [88] reported the presence of steroids and triterpenoids in the bark, leaf, and fruit extracts.…”

Section: Resultsmentioning

confidence: 99%

Ethnopharmacology, Phytochemistry, and Global Distribution of Mangroves―A Comprehensive Review

et al. 2019

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Mangroves are ecologically important plants in marine habitats that occupy the coastlines of many countries. In addition to their key ecological importance, various parts of mangroves are widely used in folklore medicine and claimed to effectively manage a panoply of human pathologies. To date, no comprehensive attempt has been made to compile and critically analyze the published literature in light of its ethnopharmacological uses. This review aims to provide a comprehensive account of the morphological characteristics, ethnobotany, global distribution, taxonomy, ethnopharmacology, phytochemical profiles, and pharmacological activities of traditionally used mangroves. Out of 84 mangrove species, only 27 species were found to be traditionally used, however not all of them are pharmacologically validated. The most common pharmacological activities reported were antioxidant, antimicrobial, and antidiabetic properties. Mangroves traditionally reported against ulcers have not been extensively validated for possible pharmacological properties. Terpenoids, tannins, steroids, alkaloids, flavonoids, and saponins were the main classes of phytochemicals isolated from mangroves. Given that mangroves have huge potential for a wide array of medicinal products and drug discovery to prevent and treat many diseases, there is a dire need for careful investigations substantiated with accurate scientific and clinical evidence to ensure safety and efficient use of these plants and validate their pharmacological properties and toxicity.

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“…Computational biology and structural biology have been instrumental in deciphering drug-protein and protein–protein interactions in absence and presence of the perturbagens. If a single protein is thought as a hub, then the protein that interacts with it and forms a PPI network constitute the interactome for the protein of interest [ 60 , 61 ].…”

Section: Form Pathway To Target Discoverymentioning

confidence: 99%

Quantitative Framework for Bench-to-Bedside Cancer Research

Zaman

Bivona

2022

Cancers

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Bioscience is an interdisciplinary venture. Driven by a quantum shift in the volume of high throughput data and in ready availability of data-intensive technologies, mathematical and quantitative approaches have become increasingly common in bioscience. For instance, a recent shift towards a quantitative description of cells and phenotypes, which is supplanting conventional qualitative descriptions, has generated immense promise and opportunities in the field of bench-to-bedside cancer OMICS, chemical biology and pharmacology. Nevertheless, like any burgeoning field, there remains a lack of shared and standardized framework for quantitative cancer research. Here, in the context of cancer, we present a basic framework and guidelines for bench-to-bedside quantitative research and therapy. We outline some of the basic concepts and their parallel use cases for chemical–protein interactions. Along with several recommendations for assay setup and conditions, we also catalog applications of these quantitative techniques in some of the most widespread discovery pipeline and analytical methods in the field. We believe adherence to these guidelines will improve experimental design, reduce variabilities and standardize quantitative datasets.

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Docking studies and network analyses reveal capacity of compounds from Kandelia rheedii to strengthen cellular immunity by interacting with host proteins during tuberculosis infection

Cited by 6 publications

References 42 publications

Phenotyping the genus Hypericum by secondary metabolite profiling: emodin vs. skyrin, two possible key intermediates in hypericin biosynthesis

Phenotyping the genus Hypericum by secondary metabolite profiling: emodin vs. skyrin, two possible key intermediates in hypericin biosynthesis

Ethnopharmacology, Phytochemistry, and Global Distribution of Mangroves―A Comprehensive Review

Quantitative Framework for Bench-to-Bedside Cancer Research

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