BACKGROUND Using gas chromatography-mass spectrometry(GC/MS)analysis,we examined the composition of volatile components present in the yellow and green fruits,seeds,and jam of the scrambling shrub Capparis cartilagine...BACKGROUND Using gas chromatography-mass spectrometry(GC/MS)analysis,we examined the composition of volatile components present in the yellow and green fruits,seeds,and jam of the scrambling shrub Capparis cartilaginea(C.cartilaginea).These plant samples were collected from Kibbutz Yotvata in Israel.In all the tested samples,isothiocyanates were identified.Utilizing the PASS program,we ascertained the biological activity of these isothiocyanates present in the Capparis genus.The study results highlighted that all isothiocyanates could potentially act as apoptosis agonists,making them strong candidates for antitumor drugs.This information holds significant value for the fields of medicinal chemistry,pharmacology,and practical medicine.AIM To investigate the volatile components present in the yellow and green fruits,seeds,and jam of the C.cartilaginea shrub using GC/MS analysis,to detect isothiocyanates in all the analyzed plant samples,and to assess the biological activity of these isothiocyanates utilizing the PASS program.METHODS We utilized two primary methods to analyze the volatile compounds present in the yellow and green fruits,seeds,and jams of the C.cartilaginea,native to Israel.We identified biologically active isothiocyanates in these samples.Their anticipated biological activities were determined using the PASS program,with the most dominant activities being apoptosis agonist,anticarcinogenic,and antineoplastic specifically for genitourinary cancer.RESULTS Fruits,seeds,and jams containing isothiocyanates,which exhibit antineoplastic and anticarcinogenic activities,could be suggested for cancer prevention and management.Specific isothiocyanates,with therapeutic potential in this realm,could be recommended as potent anticancer agents in practical medicine following clinical trials.CONCLUSION The discovery that isothiocyanates exhibit potent antineoplastic and anticarcinogenic activities was unexpected.Additionally,certain isothiocyanates demonstrated antifungal,antiviral(specifically against arbovirus),and antiparasitic properties.展开更多
This paper describes research on natural azo compounds isolated from fungi,plant,bacteria,and invertebrates.More than 120 biologically active diazene containing alkaloids demonstrate confirmed pharmacological activity...This paper describes research on natural azo compounds isolated from fungi,plant,bacteria,and invertebrates.More than 120 biologically active diazene containing alkaloids demonstrate confirmed pharmacological activity,including antitumor,antimicrobial,and antibacterial effects.The structures,origin,and biological activities of azo compounds are reviewed.Utilizing the computer program PASS,some structure–activity relationship new activities are also predicted,pointing toward possible new applications of these compounds.This article emphasizes the role of natural azo compounds as an important source of drug prototypes and leads for drug discovery.展开更多
A novel class of aminopyrrolidinyl phosphonates was synthesized in 74% - 80% isolated yield by the addition of three-fold excess of primary amines to diethyl 4-chloro-1-butynylphosphonates. The reaction was carried ou...A novel class of aminopyrrolidinyl phosphonates was synthesized in 74% - 80% isolated yield by the addition of three-fold excess of primary amines to diethyl 4-chloro-1-butynylphosphonates. The reaction was carried out at room temperature and in the absence of solvent or catalyst to give solely compounds which showed predicted biological activity based on PASS program. Some of the synthesized derivatives of antibiotics exhibit properties for the treatment of stroke, the treatment of acute neurological disorders, and can also be acetyl esterase inhibitors.展开更多
This paper is focused on application of method for detection of novel metabolites of 4-chlorodehydromethyltestosterone (known as oral turinabol, OT), which were postulated as long-term metabolites. The method started ...This paper is focused on application of method for detection of novel metabolites of 4-chlorodehydromethyltestosterone (known as oral turinabol, OT), which were postulated as long-term metabolites. The method started to be applied without rigorous validation, verification and excretion assay assisted as evidences for existence of the declared detectable compounds as true metabolites derived after OT biotransformation. This method has been started to use almost in its original form which arose in 2012 year for the very first time and never been revised and re-confirmed in peer-reviewed journals. Usually WADA encourages accredited laboratories to publish their results of methods development, validation and specific excretion studies in peer-reviewed journals. However, an incorrect method with neglected validation design and implicit data contradictions is currently widely applied. The author of this presented paper was athletes’ representative on repeated occasion and has been provided with several full documentation packages of OT novel metabolites analysis. Thus, the author makes its own conclusion based on its own evidences of that currently employed method and data analysis is exactly the same declared in a wrong way as emerged from the original paper.展开更多
Analysis of molecular mechanisms that lead to the development of various types of tumors is essential for biology and medicine,because it may help to find new therapeutic opportunities for cancer treatment and cure in...Analysis of molecular mechanisms that lead to the development of various types of tumors is essential for biology and medicine,because it may help to find new therapeutic opportunities for cancer treatment and cure including personalized treatment approaches.One of the pathways known to be important for the development of neoplastic diseases and pathological processes is the Hedgehog signaling pathway that normally controls human embryonic development.Systematic accumulation of various types of biological data,including interactions between proteins,regulation of genes transcription,proteomics,and metabolomics experiments results,allows the application of computational analysis of these big data for identification of key molecular mechanisms of certain diseases and pathologies and promising therapeutic targets.The aim of this study is to develop a computational approach for revealing associations between human proteins and genes interacting with the Hedgehog pathway components,as well as for identifying their roles in the development of various types of tumors.We automatically collect sets of abstract texts from the NCBI PubMed bibliographic database.For recognition of the Hedgehog pathway proteins and genes and neoplastic diseases we use a dictionary-based named entity recognition approach,while for all other proteins and genes machine learning method is used.For association extraction,we develop a set of semantic rules.We complete the results of the text analysis with the gene set enrichment analysis.The identified key pathways that may influence the Hedgehog pathway and their roles in tumor development are then verified using the information in the literature.展开更多
文摘BACKGROUND Using gas chromatography-mass spectrometry(GC/MS)analysis,we examined the composition of volatile components present in the yellow and green fruits,seeds,and jam of the scrambling shrub Capparis cartilaginea(C.cartilaginea).These plant samples were collected from Kibbutz Yotvata in Israel.In all the tested samples,isothiocyanates were identified.Utilizing the PASS program,we ascertained the biological activity of these isothiocyanates present in the Capparis genus.The study results highlighted that all isothiocyanates could potentially act as apoptosis agonists,making them strong candidates for antitumor drugs.This information holds significant value for the fields of medicinal chemistry,pharmacology,and practical medicine.AIM To investigate the volatile components present in the yellow and green fruits,seeds,and jam of the C.cartilaginea shrub using GC/MS analysis,to detect isothiocyanates in all the analyzed plant samples,and to assess the biological activity of these isothiocyanates utilizing the PASS program.METHODS We utilized two primary methods to analyze the volatile compounds present in the yellow and green fruits,seeds,and jams of the C.cartilaginea,native to Israel.We identified biologically active isothiocyanates in these samples.Their anticipated biological activities were determined using the PASS program,with the most dominant activities being apoptosis agonist,anticarcinogenic,and antineoplastic specifically for genitourinary cancer.RESULTS Fruits,seeds,and jams containing isothiocyanates,which exhibit antineoplastic and anticarcinogenic activities,could be suggested for cancer prevention and management.Specific isothiocyanates,with therapeutic potential in this realm,could be recommended as potent anticancer agents in practical medicine following clinical trials.CONCLUSION The discovery that isothiocyanates exhibit potent antineoplastic and anticarcinogenic activities was unexpected.Additionally,certain isothiocyanates demonstrated antifungal,antiviral(specifically against arbovirus),and antiparasitic properties.
基金The work was partially supported(TAG and VVP)in the framework of the Russian State Academies of Sciences Fundamental Research Program for 2013-2020.
文摘This paper describes research on natural azo compounds isolated from fungi,plant,bacteria,and invertebrates.More than 120 biologically active diazene containing alkaloids demonstrate confirmed pharmacological activity,including antitumor,antimicrobial,and antibacterial effects.The structures,origin,and biological activities of azo compounds are reviewed.Utilizing the computer program PASS,some structure–activity relationship new activities are also predicted,pointing toward possible new applications of these compounds.This article emphasizes the role of natural azo compounds as an important source of drug prototypes and leads for drug discovery.
文摘A novel class of aminopyrrolidinyl phosphonates was synthesized in 74% - 80% isolated yield by the addition of three-fold excess of primary amines to diethyl 4-chloro-1-butynylphosphonates. The reaction was carried out at room temperature and in the absence of solvent or catalyst to give solely compounds which showed predicted biological activity based on PASS program. Some of the synthesized derivatives of antibiotics exhibit properties for the treatment of stroke, the treatment of acute neurological disorders, and can also be acetyl esterase inhibitors.
文摘This paper is focused on application of method for detection of novel metabolites of 4-chlorodehydromethyltestosterone (known as oral turinabol, OT), which were postulated as long-term metabolites. The method started to be applied without rigorous validation, verification and excretion assay assisted as evidences for existence of the declared detectable compounds as true metabolites derived after OT biotransformation. This method has been started to use almost in its original form which arose in 2012 year for the very first time and never been revised and re-confirmed in peer-reviewed journals. Usually WADA encourages accredited laboratories to publish their results of methods development, validation and specific excretion studies in peer-reviewed journals. However, an incorrect method with neglected validation design and implicit data contradictions is currently widely applied. The author of this presented paper was athletes’ representative on repeated occasion and has been provided with several full documentation packages of OT novel metabolites analysis. Thus, the author makes its own conclusion based on its own evidences of that currently employed method and data analysis is exactly the same declared in a wrong way as emerged from the original paper.
基金This work was supported by the Ministry of Science and Higher Education of the Russian Federation within the framework of state support for the creation and development of World-Class Research Centers'Digital Biodesign and Personalized Healthcare'(No.75-15-2022-305).
文摘Analysis of molecular mechanisms that lead to the development of various types of tumors is essential for biology and medicine,because it may help to find new therapeutic opportunities for cancer treatment and cure including personalized treatment approaches.One of the pathways known to be important for the development of neoplastic diseases and pathological processes is the Hedgehog signaling pathway that normally controls human embryonic development.Systematic accumulation of various types of biological data,including interactions between proteins,regulation of genes transcription,proteomics,and metabolomics experiments results,allows the application of computational analysis of these big data for identification of key molecular mechanisms of certain diseases and pathologies and promising therapeutic targets.The aim of this study is to develop a computational approach for revealing associations between human proteins and genes interacting with the Hedgehog pathway components,as well as for identifying their roles in the development of various types of tumors.We automatically collect sets of abstract texts from the NCBI PubMed bibliographic database.For recognition of the Hedgehog pathway proteins and genes and neoplastic diseases we use a dictionary-based named entity recognition approach,while for all other proteins and genes machine learning method is used.For association extraction,we develop a set of semantic rules.We complete the results of the text analysis with the gene set enrichment analysis.The identified key pathways that may influence the Hedgehog pathway and their roles in tumor development are then verified using the information in the literature.