Tumor necrosis factor-α (TNF-α) is a cytotoxic cytokine in vitro. It mediates septic shock, apoptosis, and inflammation in vivo. The in vitro work was used for testing the effect of Etanercept (ETA) and Infliximab (INF) against cell cytotoxicity caused by TNF-α. At the same time, the in vivo work was used to test the effect of the two tested agents on TNF-α serum levels in rats induced by lipopolysaccharides (LPS). Upon in vitro testing of the protective effect of both agents on the WI38 cells, it was found that ETA was superior to INF for antagonizing the effect of TNF-α whether the tested agent and TNF-α were simultaneously added to the cell line or the antibody addition proceeded TNF-α addition. In vivo testing of the effect of both agents showed that they significantly antagonized the effect of TNF-α with superior effect in case of ETA whether each tested agent was administered at four doses separated by one-week interval before LPS injection or it was administered once 24 hours after LPS administration. This study gave evidence for a differential antagonizing effect of ETA and INF against TNF-α with superior action in the case of ETA when they were assessed both in vitro and in vivo.
{"title":"Etanercept and Infliximab, Two Tumor Necrosis Factor-α (TNF-α) Inhibitors With Different Action Profiles: An In vitro and In Vivo Study in the Context of Reviewed Therapeutic Applications","authors":"","doi":"10.33263/briac134.309","DOIUrl":"https://doi.org/10.33263/briac134.309","url":null,"abstract":"Tumor necrosis factor-α (TNF-α) is a cytotoxic cytokine in vitro. It mediates septic shock, apoptosis, and inflammation in vivo. The in vitro work was used for testing the effect of Etanercept (ETA) and Infliximab (INF) against cell cytotoxicity caused by TNF-α. At the same time, the in vivo work was used to test the effect of the two tested agents on TNF-α serum levels in rats induced by lipopolysaccharides (LPS). Upon in vitro testing of the protective effect of both agents on the WI38 cells, it was found that ETA was superior to INF for antagonizing the effect of TNF-α whether the tested agent and TNF-α were simultaneously added to the cell line or the antibody addition proceeded TNF-α addition. In vivo testing of the effect of both agents showed that they significantly antagonized the effect of TNF-α with superior effect in case of ETA whether each tested agent was administered at four doses separated by one-week interval before LPS injection or it was administered once 24 hours after LPS administration. This study gave evidence for a differential antagonizing effect of ETA and INF against TNF-α with superior action in the case of ETA when they were assessed both in vitro and in vivo.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44913513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Cortex Uncariae is the stem of Uncaria tomentosa plant, which belongs to the family Rubiaceae. Cat's thorn and unha de gato are the famous names of Cortex Uncariae. Uncaria tomentosa plant is widely geographically distributed in Central and South American countries. The aim of this review was to focus on pharmacology, toxicology, precautions, and dosage of Cortex Uncariae. The indole alkaloids such as speciophylline, mitraphylline, pteropodine, uncarine F, and isomitraphylline, as well as tetracyclic alkaloids oxindoles such as isorhynchophylline and rhynchophylline are the major Cortex Uncariae chemical constituents. There are many medical applications of Cortex Uncariae, such as immunostimulant agents, increases the white blood cells and immunity, treatment of gastrointestinal ulcers, rheumatism, arthritis, viral infection, urinary tract infections, fever, asthma, abscesses, high blood pressure, high blood glucose, and high total cholesterol. Pharmacology of Cortex Uncariae includes experimental pharmacology and clinical pharmacology. Experimental pharmacology contains anti-inflammatory, antidepressant, neuroprotection, antitumor, immune-stimulating, and anti-obesity activities, while clinical pharmacology contains immune-stimulating activity. No acute or chronic toxicity was recorded after Cortex Uncariae water extract administration. Cortex Uncariae extract did not accompany loss of food intake, body or organ weight decrease, and no histopathological changes were recorded in the main body organs such as kidney, liver, spleen, and heart after Cortex Uncariae intake. Cortex Uncariae must store in a closely black container to avoid heat and light. In conclusion, Cortex Uncariae had anti-inflammatory, antidepressant and neuroprotection, antitumor, immune-stimulating, anti-inflammatory, and anti-obesity activities without acute or chronic toxicity.
{"title":"Cortex Uncariae: A Review on Pharmacology, Toxicology, Precautions, and Dosage","authors":"","doi":"10.33263/briac134.334","DOIUrl":"https://doi.org/10.33263/briac134.334","url":null,"abstract":"Cortex Uncariae is the stem of Uncaria tomentosa plant, which belongs to the family Rubiaceae. Cat's thorn and unha de gato are the famous names of Cortex Uncariae. Uncaria tomentosa plant is widely geographically distributed in Central and South American countries. The aim of this review was to focus on pharmacology, toxicology, precautions, and dosage of Cortex Uncariae. The indole alkaloids such as speciophylline, mitraphylline, pteropodine, uncarine F, and isomitraphylline, as well as tetracyclic alkaloids oxindoles such as isorhynchophylline and rhynchophylline are the major Cortex Uncariae chemical constituents. There are many medical applications of Cortex Uncariae, such as immunostimulant agents, increases the white blood cells and immunity, treatment of gastrointestinal ulcers, rheumatism, arthritis, viral infection, urinary tract infections, fever, asthma, abscesses, high blood pressure, high blood glucose, and high total cholesterol. Pharmacology of Cortex Uncariae includes experimental pharmacology and clinical pharmacology. Experimental pharmacology contains anti-inflammatory, antidepressant, neuroprotection, antitumor, immune-stimulating, and anti-obesity activities, while clinical pharmacology contains immune-stimulating activity. No acute or chronic toxicity was recorded after Cortex Uncariae water extract administration. Cortex Uncariae extract did not accompany loss of food intake, body or organ weight decrease, and no histopathological changes were recorded in the main body organs such as kidney, liver, spleen, and heart after Cortex Uncariae intake. Cortex Uncariae must store in a closely black container to avoid heat and light. In conclusion, Cortex Uncariae had anti-inflammatory, antidepressant and neuroprotection, antitumor, immune-stimulating, anti-inflammatory, and anti-obesity activities without acute or chronic toxicity.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47138430","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This current study presents a chemical exploration of the methanolic extract of Selliguea taeniata leaves, a fern species endemic in certain regions in the Philippines, such as Ifugao, where it is used to treat cough for good health and well-being of the folks. Although botanical data of this fern are reported, there are still no reports regarding its chemical properties, such as phytochemicals and antioxidant activity, as of the time this study was conducted. The air-dried leaves of S. taeniata were extracted using absolute methanol. The crude extract was concentrated and subjected to the Folin-Ciocalteu method to determine the total phenolic content (TPC), 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging assay to evaluate its antioxidant activity, and phytochemical screening. Subsequently, various chromatographic techniques and 1H Nuclear Magnetic Resonance spectroscopy were applied to isolate and partially characterize its secondary metabolites partially. Methanolic extract of S. taeniata leaves had a TPC of 1669.11 ± 0.07 mg GAE /g of dried sample and antioxidant activity (EC50= 85.79 ± 0.02 ppm). The crude extract contained alkaloids, flavonoids, cardiac glycosides, saponins, phenols, and tannins. Partial isolation of its secondary metabolites suggested that the crude extract may contain a mixture of proanthocyanidins or its monomer units and glycosides. The claims of the folks from Ifugao on the effectivity of Selliguea taeniata leaf decoction as an antitussive can be attributed to the plant's high antioxidant activity. The extract contained phenolic compounds that could be proanthocyanidins, inhibiting elastase that promotes inflammation.
{"title":"Isolation, Characterization, and Antioxidant Activity of Selliguea taeniata Secondary Metabolites","authors":"","doi":"10.33263/briac134.330","DOIUrl":"https://doi.org/10.33263/briac134.330","url":null,"abstract":"This current study presents a chemical exploration of the methanolic extract of Selliguea taeniata leaves, a fern species endemic in certain regions in the Philippines, such as Ifugao, where it is used to treat cough for good health and well-being of the folks. Although botanical data of this fern are reported, there are still no reports regarding its chemical properties, such as phytochemicals and antioxidant activity, as of the time this study was conducted. The air-dried leaves of S. taeniata were extracted using absolute methanol. The crude extract was concentrated and subjected to the Folin-Ciocalteu method to determine the total phenolic content (TPC), 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging assay to evaluate its antioxidant activity, and phytochemical screening. Subsequently, various chromatographic techniques and 1H Nuclear Magnetic Resonance spectroscopy were applied to isolate and partially characterize its secondary metabolites partially. Methanolic extract of S. taeniata leaves had a TPC of 1669.11 ± 0.07 mg GAE /g of dried sample and antioxidant activity (EC50= 85.79 ± 0.02 ppm). The crude extract contained alkaloids, flavonoids, cardiac glycosides, saponins, phenols, and tannins. Partial isolation of its secondary metabolites suggested that the crude extract may contain a mixture of proanthocyanidins or its monomer units and glycosides. The claims of the folks from Ifugao on the effectivity of Selliguea taeniata leaf decoction as an antitussive can be attributed to the plant's high antioxidant activity. The extract contained phenolic compounds that could be proanthocyanidins, inhibiting elastase that promotes inflammation.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46358063","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The molecule 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile is a pyrazole derivative with five different functional points. The main aim of this manuscript is to identify whether the compound interacts with fullerene molecules. The molecule's structure was simulated DFT- B3LYP/6-311+G (2d, p). The electronic spectra were generated using RCAM-B3LYP functional and the same basis sets with different solvents. Physical and chemical properties like active sites, biological activities, stabilities, solvation energy, electrons' occupancies in bonding orbitals, weak and strong hydrogen bonds, the steric force of interactions, delocalization of electrons, and reactive sites identification are reported. PASS and subsequent docking studies indicate the antiarthritic property. This molecule has good absorption energy (ΔH) -71.84 kcal/mol with a fullerene complex. Also, we found an enhancement of Raman activity of the compound when adsorbed with fullerene.
{"title":"Study of the Electronic Properties of a Fluoropyrazolecarbonitrile Derivative and Enhancement of Spectral Properties on Adsorption with Fullerene","authors":"","doi":"10.33263/briac134.342","DOIUrl":"https://doi.org/10.33263/briac134.342","url":null,"abstract":"The molecule 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile is a pyrazole derivative with five different functional points. The main aim of this manuscript is to identify whether the compound interacts with fullerene molecules. The molecule's structure was simulated DFT- B3LYP/6-311+G (2d, p). The electronic spectra were generated using RCAM-B3LYP functional and the same basis sets with different solvents. Physical and chemical properties like active sites, biological activities, stabilities, solvation energy, electrons' occupancies in bonding orbitals, weak and strong hydrogen bonds, the steric force of interactions, delocalization of electrons, and reactive sites identification are reported. PASS and subsequent docking studies indicate the antiarthritic property. This molecule has good absorption energy (ΔH) -71.84 kcal/mol with a fullerene complex. Also, we found an enhancement of Raman activity of the compound when adsorbed with fullerene.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45193846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The Gram-negative bacilli (GNB) tend to dominate the infectious pathology, often due to multidrug-resistant (MDR) strains and evolving with severe, complicated, and difficult-to-treat clinical forms. This study aimed to investigate by phenotypic and genotypic assays a representative set of carbapenem-resistant GNB strains to evaluate their contribution to appropriate epidemiological surveillance and therapy of associated infections. A number of 70 Enterobacterales MDR bacterial strains were consecutively isolated from patients with different infections (79 %) and carriers (rectal portages, 21 %) hospitalized at the Fundeni Clinical Institute from November 2017 - April 2018. The strains, previously characterized by PCR, were investigated comparatively by two immunochromatographic tests, NG-Test Carba 5 and RESIST-3 O.K.N., able to detect KPC, OXA-48 like NDM, VIM, IMP, and OXA-48 like, KPC, NDM, respectively. KPC was the main carbapenemase detected (37 %), followed by OXA-48 (30 %). Both rapid immunochromatographic tests demonstrated high sensitivity and specificity, the results being 100 % concordant with the results of the PCR method. The immunochromatographic assay is, therefore, a cheap and reliable method for the rapid detection, within 15 minutes, of carbapenemase-producing strains. Rapid and accurate identification of carbapenemases is significant for clinical and epidemiological purposes, infection control, and antimicrobial therapy's effectiveness.
{"title":"Comparative Performance of Two Immunochromatographic Tests for the Rapid Detection of PCR Confirmed, Carbapenemase Producing-Enterobacterales","authors":"","doi":"10.33263/briac134.322","DOIUrl":"https://doi.org/10.33263/briac134.322","url":null,"abstract":"The Gram-negative bacilli (GNB) tend to dominate the infectious pathology, often due to multidrug-resistant (MDR) strains and evolving with severe, complicated, and difficult-to-treat clinical forms. This study aimed to investigate by phenotypic and genotypic assays a representative set of carbapenem-resistant GNB strains to evaluate their contribution to appropriate epidemiological surveillance and therapy of associated infections. A number of 70 Enterobacterales MDR bacterial strains were consecutively isolated from patients with different infections (79 %) and carriers (rectal portages, 21 %) hospitalized at the Fundeni Clinical Institute from November 2017 - April 2018. The strains, previously characterized by PCR, were investigated comparatively by two immunochromatographic tests, NG-Test Carba 5 and RESIST-3 O.K.N., able to detect KPC, OXA-48 like NDM, VIM, IMP, and OXA-48 like, KPC, NDM, respectively. KPC was the main carbapenemase detected (37 %), followed by OXA-48 (30 %). Both rapid immunochromatographic tests demonstrated high sensitivity and specificity, the results being 100 % concordant with the results of the PCR method. The immunochromatographic assay is, therefore, a cheap and reliable method for the rapid detection, within 15 minutes, of carbapenemase-producing strains. Rapid and accurate identification of carbapenemases is significant for clinical and epidemiological purposes, infection control, and antimicrobial therapy's effectiveness.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44396344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The high level of carbon dioxide (CO2) greenhouse gas exhaustion to nature could make it a serious pollutant with negative impacts on human and environmental health safety. In this regard, the current work was performed to run computational assessments on employing zinc (Zn)-doped nanocage (C19Zn) for adsorbing the CO2 gaseous substance to approach the detection and removal goals. Accordingly, geometries of the model systems were optimized using density functional theory (DFT) calculations to obtain the minimized energy structures besides evaluating their energy features. The obtained features approved the formation of interacting bimolecular CO2@C19Zn complex of quantum theory of atoms in molecules (QTAIM) analysis, and the evaluated strength indicated the existence of a physical O…Zn interaction for the formation of such a complex system. Moreover, the evaluated electronic molecular orbital features indicated the possibility of detection function for the investigated system. The obtained results of this work revealed that the formation of the CO2@C19Zn complex model could be supposed to conduct two functions of detection and removal of CO2 by the investigated C19Zn nanocage for approaching the issues of dealing with greenhouse pollutants.
{"title":"Carbon Dioxide Adsorption by a Zinc-Doped Nanocage: DFT-Based Computational Assessment of Gas Pollution Detection and Removal","authors":"","doi":"10.33263/briac134.337","DOIUrl":"https://doi.org/10.33263/briac134.337","url":null,"abstract":"The high level of carbon dioxide (CO2) greenhouse gas exhaustion to nature could make it a serious pollutant with negative impacts on human and environmental health safety. In this regard, the current work was performed to run computational assessments on employing zinc (Zn)-doped nanocage (C19Zn) for adsorbing the CO2 gaseous substance to approach the detection and removal goals. Accordingly, geometries of the model systems were optimized using density functional theory (DFT) calculations to obtain the minimized energy structures besides evaluating their energy features. The obtained features approved the formation of interacting bimolecular CO2@C19Zn complex of quantum theory of atoms in molecules (QTAIM) analysis, and the evaluated strength indicated the existence of a physical O…Zn interaction for the formation of such a complex system. Moreover, the evaluated electronic molecular orbital features indicated the possibility of detection function for the investigated system. The obtained results of this work revealed that the formation of the CO2@C19Zn complex model could be supposed to conduct two functions of detection and removal of CO2 by the investigated C19Zn nanocage for approaching the issues of dealing with greenhouse pollutants.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49186064","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The search for novel therapies for tuberculosis continues due to the emergence of resistant strains, adverse drug reactions, and potential drug-drug interactions of antitubercular drugs. This study was undertaken to identify compounds from Entada abyssinica, a plant used by herbalists in East Africa for the management of symptoms of tuberculosis. An extract of shade-dried E. abyssinica stem bark was prepared by maceration in a mixture of acetone and methanol in the ratio of 3:2. Column and thin layer chromatography were used to isolate pure compounds. The structures of the compounds were elucidated using nuclear magnetic resonance and infrared spectroscopy. The compounds were further studied using in silico tools to predict their binding affinities, descriptors of pharmacokinetics, and toxicity. Seven known compounds: 2,3-dihydroxypropyltriacontanoate (1), 1',26'-bis-(2,3-dihydroxypropyl) hexacosanedioate (2), stigmasterol 3-O--D-glucopyranoside (3), sitosterol 3-O--D-glucopyranoside (4), Spinasterol 3-O--D-glucopyranoside (5), stigmasterol (6) and spinasterol (7) were isolated. Compounds 1 and 2 had better binding affinities (-27.7374 and -28.5726 Kcal/mol) than the bedaquiline (-22.9042 Kcal/mol) for ATP. All isolated compounds had better binding affinities (between -21.4357 and -18.7809 Kcal/mol) than isoniazid (-10.8307 Kcal/mol) for polyketide-13 synthase enzymes. The compounds showed variable but promising pharmacokinetic properties with minimum toxicity. E. abyssinica stem bark contains phytochemicals with promising antimycobacterial activity via inhibition of the ATP and polyketide-13 synthase enzymes. In vitro and in vivo studies are recommended to validate the predicted antimycobacterial activity as well as the pharmacokinetics and toxicity profiles.
由于耐药菌株的出现、药物不良反应和抗结核药物潜在的药物-药物相互作用，寻找结核病新疗法的工作仍在继续。本研究的目的是鉴定一种东非草药医生用于治疗肺结核症状的植物——深草的化合物。用丙酮和甲醇的混合物以3:2的比例浸渍制得深蓝茎皮荫干提取物。采用柱层析和薄层析分离纯化化合物。利用核磁共振和红外光谱对化合物的结构进行了表征。使用硅工具对这些化合物进行进一步研究，以预测它们的结合亲和力、药代动力学描述符和毒性。分离得到了7个已知化合物:2,3-二羟丙基三康烷酸酯(1)、1'，26'-二-(2,3-二羟丙基)己糖二酸酯(2)、豆甾醇3- o -- d -葡萄糖吡喃苷(3)、谷甾醇3- o -- d -葡萄糖吡喃苷(4)、Spinasterol 3- o -- d -葡萄糖吡喃苷(5)、豆甾醇(6)和Spinasterol(7)。化合物1和2对ATP的结合亲和力(-27.7374和-28.5726 Kcal/mol)优于贝达喹啉(-22.9042 Kcal/mol)。所有化合物对聚酮-13合成酶的结合亲和力(-21.4357 ~ -18.7809 Kcal/mol)均优于异烟肼(-10.8307 Kcal/mol)。这些化合物表现出可变但有希望的药代动力学性质，毒性最小。深草茎皮含有植物化学物质，通过抑制ATP和聚酮-13合成酶而具有抗细菌活性。建议进行体外和体内研究，以验证预测的抗细菌活性以及药代动力学和毒性概况。
{"title":"Molecular Docking Interactions with Mycobacterial ATP and Polyketide-13 Synthase Enzymes of Phytoconstituents Isolated from Entada abyssinica Stem Bark","authors":"","doi":"10.33263/briac134.323","DOIUrl":"https://doi.org/10.33263/briac134.323","url":null,"abstract":"The search for novel therapies for tuberculosis continues due to the emergence of resistant strains, adverse drug reactions, and potential drug-drug interactions of antitubercular drugs. This study was undertaken to identify compounds from Entada abyssinica, a plant used by herbalists in East Africa for the management of symptoms of tuberculosis. An extract of shade-dried E. abyssinica stem bark was prepared by maceration in a mixture of acetone and methanol in the ratio of 3:2. Column and thin layer chromatography were used to isolate pure compounds. The structures of the compounds were elucidated using nuclear magnetic resonance and infrared spectroscopy. The compounds were further studied using in silico tools to predict their binding affinities, descriptors of pharmacokinetics, and toxicity. Seven known compounds: 2,3-dihydroxypropyltriacontanoate (1), 1',26'-bis-(2,3-dihydroxypropyl) hexacosanedioate (2), stigmasterol 3-O--D-glucopyranoside (3), sitosterol 3-O--D-glucopyranoside (4), Spinasterol 3-O--D-glucopyranoside (5), stigmasterol (6) and spinasterol (7) were isolated. Compounds 1 and 2 had better binding affinities (-27.7374 and -28.5726 Kcal/mol) than the bedaquiline (-22.9042 Kcal/mol) for ATP. All isolated compounds had better binding affinities (between -21.4357 and -18.7809 Kcal/mol) than isoniazid (-10.8307 Kcal/mol) for polyketide-13 synthase enzymes. The compounds showed variable but promising pharmacokinetic properties with minimum toxicity. E. abyssinica stem bark contains phytochemicals with promising antimycobacterial activity via inhibition of the ATP and polyketide-13 synthase enzymes. In vitro and in vivo studies are recommended to validate the predicted antimycobacterial activity as well as the pharmacokinetics and toxicity profiles.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43941673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Considering the importance of metal complexes in the development of medicinal chemistry, a series of transition metal complexes of Co(II), Fe(II), Zn(II), Cu(II), and Ni(II) has been synthesized from N,N'-bis(salicylidene)-2,2-dimethyl-1,3-diaminopropane H2L Schiff base ligand. The reaction of the H2L with the selected metal ions led to tetrahedral and octahedral coordinated complexes. The structural features of the obtained metal complexes were determined using analytical techniques such as FT-IR, NMR, UV-Vis, X-ray powder diffraction, mass spectrometry, and Thermogravimetry–differential thermal (TGA/DTA) analysis. The measured conductance for obtained compounds has shown the electrolytic behavior of all obtained complexes. The synthesized ligand and corresponding complexes were screened for their antioxidant and antibacterial activities. Indeed, Co(II) and Fe(II) complexes have shown excellent antioxidant activities for DPPH radical scavenging and FRAP assays, respectively. The results obtained from the disc diffusion assay showed that Co(II), Fe(II), Zn(II), and Cu(II) complexes had displayed promising antibacterial activity against Escherichia coli and Staphylococcus aureus, while no effect has been observed on both strains for ligand H2L and its corresponding Ni(II) complex.
{"title":"Synthesis, Characterization, Antioxidant and Antibacterial Activities of Six Metal Complexes Based Tetradentate Salen Type Bis-Schiff Base","authors":"","doi":"10.33263/briac134.333","DOIUrl":"https://doi.org/10.33263/briac134.333","url":null,"abstract":"Considering the importance of metal complexes in the development of medicinal chemistry, a series of transition metal complexes of Co(II), Fe(II), Zn(II), Cu(II), and Ni(II) has been synthesized from N,N'-bis(salicylidene)-2,2-dimethyl-1,3-diaminopropane H2L Schiff base ligand. The reaction of the H2L with the selected metal ions led to tetrahedral and octahedral coordinated complexes. The structural features of the obtained metal complexes were determined using analytical techniques such as FT-IR, NMR, UV-Vis, X-ray powder diffraction, mass spectrometry, and Thermogravimetry–differential thermal (TGA/DTA) analysis. The measured conductance for obtained compounds has shown the electrolytic behavior of all obtained complexes. The synthesized ligand and corresponding complexes were screened for their antioxidant and antibacterial activities. Indeed, Co(II) and Fe(II) complexes have shown excellent antioxidant activities for DPPH radical scavenging and FRAP assays, respectively. The results obtained from the disc diffusion assay showed that Co(II), Fe(II), Zn(II), and Cu(II) complexes had displayed promising antibacterial activity against Escherichia coli and Staphylococcus aureus, while no effect has been observed on both strains for ligand H2L and its corresponding Ni(II) complex.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45948251","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Cancer diseases are characterized by high incidence and mortality worldwide. The main problem in cancer therapy is the lack of specificity of anti-cancer drugs. Therefore, the development of new methods of targeted delivery of anti-cancer drugs is an urgent task in oncology. Nanoparticles from hyaluronic acid and chitosan (HA:CS) were obtained using ionotropic gelation technology. The size of the nanoparticles was investigated using dynamic light scattering. Nanoparticles were obtained of a size of 100-400 nm. A physical association method has been developed for encapsulating nanoparticles with doxorubicin, a well-known antitumor drug, and dinitrosyl iron complex (DNIC; donor of nitric oxide). Using the method of dynamic light scattering, the surface potential of nanoparticles was measured. It was found that the resulting nanoparticles (HA-DOX:CS) were stable and had a surface potential of -45.6 meV. Using the method of confocal and FLIM microscopy, the localization of nanoparticles in cancer cells was studied. These methods have shown that nanoparticles pass through the cytoplasmic membrane and are localized inside the cells. It was also shown that nanoparticles (HA:CS-Rhod) were localized in the cytoplasm of African green monkey renal epithelial cells. It was found that the incorporation of DNIC into the composition of nanoparticles significantly increased the stability of DNIC, while prolonging the formation time and increasing the yield of nitric oxide. Thus, we have developed unique nanoparticles for the targeted delivery of antitumor drugs into cells.
{"title":"Intracytoplasmic Trafficking of Nanoparticles based on Hyaluronic Acid and Chitosan for Targeted Delivery of Anticancer Drugs","authors":"","doi":"10.33263/briac134.344","DOIUrl":"https://doi.org/10.33263/briac134.344","url":null,"abstract":"Cancer diseases are characterized by high incidence and mortality worldwide. The main problem in cancer therapy is the lack of specificity of anti-cancer drugs. Therefore, the development of new methods of targeted delivery of anti-cancer drugs is an urgent task in oncology. Nanoparticles from hyaluronic acid and chitosan (HA:CS) were obtained using ionotropic gelation technology. The size of the nanoparticles was investigated using dynamic light scattering. Nanoparticles were obtained of a size of 100-400 nm. A physical association method has been developed for encapsulating nanoparticles with doxorubicin, a well-known antitumor drug, and dinitrosyl iron complex (DNIC; donor of nitric oxide). Using the method of dynamic light scattering, the surface potential of nanoparticles was measured. It was found that the resulting nanoparticles (HA-DOX:CS) were stable and had a surface potential of -45.6 meV. Using the method of confocal and FLIM microscopy, the localization of nanoparticles in cancer cells was studied. These methods have shown that nanoparticles pass through the cytoplasmic membrane and are localized inside the cells. It was also shown that nanoparticles (HA:CS-Rhod) were localized in the cytoplasm of African green monkey renal epithelial cells. It was found that the incorporation of DNIC into the composition of nanoparticles significantly increased the stability of DNIC, while prolonging the formation time and increasing the yield of nitric oxide. Thus, we have developed unique nanoparticles for the targeted delivery of antitumor drugs into cells.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46172589","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
As an excellent alternative, the vaginal route has been widely investigated to deliver different types of drugs. However, the delivery of hydrophobic drugs via conventional preparation is challenging. Here, for the first time, we investigated using PEG as a permeation enhancer in thermosensitive mucoadhesive hydrogels containing Nile red as a model of the hydrophobic compound. Pluronic® F127 (P127) and Pluronic® F68 (P68) were used as thermosensitive agents, and HPMC was used as mucoadhesive agents. The results showed that the concentration of PEG did not change the gelation temperature, mucoadhesive properties, pH, recovery, and rheological behavior of hydrogels. Finally, using PEG could improve the ex vivo permeation and retention profiles of Nile red up to 20-folds and 15-folds, respectively. Following the promising results of this proof of concept study, the application of PEG in improving the vaginal delivery of therapeutic agents should be carried out.
{"title":"Polyethylene Glycol as New Permeation Enhancer in Thermosensitive Mucoadhesive Hydrogels Containing Hydrophobic Compound for Vaginal Delivery: An Ex Vivo Proof of Concept Study","authors":"","doi":"10.33263/briac134.315","DOIUrl":"https://doi.org/10.33263/briac134.315","url":null,"abstract":"As an excellent alternative, the vaginal route has been widely investigated to deliver different types of drugs. However, the delivery of hydrophobic drugs via conventional preparation is challenging. Here, for the first time, we investigated using PEG as a permeation enhancer in thermosensitive mucoadhesive hydrogels containing Nile red as a model of the hydrophobic compound. Pluronic® F127 (P127) and Pluronic® F68 (P68) were used as thermosensitive agents, and HPMC was used as mucoadhesive agents. The results showed that the concentration of PEG did not change the gelation temperature, mucoadhesive properties, pH, recovery, and rheological behavior of hydrogels. Finally, using PEG could improve the ex vivo permeation and retention profiles of Nile red up to 20-folds and 15-folds, respectively. Following the promising results of this proof of concept study, the application of PEG in improving the vaginal delivery of therapeutic agents should be carried out.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42763209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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