Pollution in soil (particularly heavy metal contamination) is a result of industrialization, urbanization, intensified use of fertilisers, insecticides and irrigation water. The quality of agricultural soil in the vicinity of the industry is of wide concern due to associated health risks caused by presence of heavy metals in it. Heavy metals pollution in the soil leads to its poor health, groundwater and food contamination which is hazardous to human health. In the present study, wavelength dispersive X-ray fluorescence (WDXRF) technique has been used for soil assessment in one of the industrial areas of Himachal Pradesh, India. The XRF results show a larger concentration of some of the heavy metals in different soil samples as compared to the permissible values. The high values of contamination factor especially for titanium (Ti), vanadium (V), chromium (Cr), cobalt (Co) and barium (Ba) show that the contamination in the agricultural soils in the vicinity of the industries is due to their shear negligence. The investigated contamination factor lies in the range; 3.79Cfi<14, 3.29Cfi<17.86, 1.64Cfi<18.96, 2.78Cfi<6.22 and 2.38Cfi<6.30 for Ti, V, Cr, Co and Ba respectively. Moreover, the results indicate that the risk index ranges from moderate potential risk to considerable potential risk.
{"title":"Soil assessment for heavy metal contamination and potential ecological risks","authors":"Vijay Kumar Garg, Arun Lal Srivastav, M.K. Tiwari, Ajay Sharma, Varinder Singh Kanwar","doi":"10.25303/2710rjce038045","DOIUrl":"https://doi.org/10.25303/2710rjce038045","url":null,"abstract":"Pollution in soil (particularly heavy metal contamination) is a result of industrialization, urbanization, intensified use of fertilisers, insecticides and irrigation water. The quality of agricultural soil in the vicinity of the industry is of wide concern due to associated health risks caused by presence of heavy metals in it. Heavy metals pollution in the soil leads to its poor health, groundwater and food contamination which is hazardous to human health. In the present study, wavelength dispersive X-ray fluorescence (WDXRF) technique has been used for soil assessment in one of the industrial areas of Himachal Pradesh, India. The XRF results show a larger concentration of some of the heavy metals in different soil samples as compared to the permissible values. The high values of contamination factor especially for titanium (Ti), vanadium (V), chromium (Cr), cobalt (Co) and barium (Ba) show that the contamination in the agricultural soils in the vicinity of the industries is due to their shear negligence. The investigated contamination factor lies in the range; 3.79Cfi<14, 3.29Cfi<17.86, 1.64Cfi<18.96, 2.78Cfi<6.22 and 2.38Cfi<6.30 for Ti, V, Cr, Co and Ba respectively. Moreover, the results indicate that the risk index ranges from moderate potential risk to considerable potential risk.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135486584","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 allelopathic effect of aqueous stems extracts of Mimosa hamata Willd. Seed germination was studied using Vigna radiate L., Zea mays L. and Cicer arietinum L. seeds. The results of the investigation suggested that aqueous stems extracts of Mimosa hamata Willd. increased the percentage of germination and seedling vigor index increased. The aqueous stems extracts show allelopathic activity because there are a large number of bioactive compounds such as saponin which is also known as allelochemical present in the aqueous stems extracts of Mimosa hamata Willd. They have shown a positive allelopathic effect on stems from Mimosa hamata Willd.
{"title":"Allelopathic effects of stems extracts of Mimosa Hamata Willd.","authors":"Alok Kumar Singh, R.N. Yadava, Ritu Yadav, S.P. Shrivastava","doi":"10.25303/2710rjce1320136","DOIUrl":"https://doi.org/10.25303/2710rjce1320136","url":null,"abstract":"The allelopathic effect of aqueous stems extracts of Mimosa hamata Willd. Seed germination was studied using Vigna radiate L., Zea mays L. and Cicer arietinum L. seeds. The results of the investigation suggested that aqueous stems extracts of Mimosa hamata Willd. increased the percentage of germination and seedling vigor index increased. The aqueous stems extracts show allelopathic activity because there are a large number of bioactive compounds such as saponin which is also known as allelochemical present in the aqueous stems extracts of Mimosa hamata Willd. They have shown a positive allelopathic effect on stems from Mimosa hamata Willd.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135486585","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}
Presently, micro pollutants which occur in water resources worldwide are the main problematic issues causing hazardous effect on environment and harming human life. Polymeric resins are the effective adsorbents, which have properties like static chemical properties, high porosity and specific adsorbent sites. The new resin Guargum Mandelic Acid Resin (GMA), has been synthesized which is toxic free substance for the treatment of industrial waste water. Guargum Mandelic Acid Resin (GMA) has been used for the adsorption of heavy metal ions like Lead (Pb2+), Copper (Cu2+), Iron (Fe2+), Chromium (Cr²+), Zinc (Zn+²) etc. by batch and column method. The GMA resin was characterized by FTIR and SEM. In laboratory, experiments were performed at different pH range, concentration and time of contact.
{"title":"Synthesis and characterization of Guargum Mandelic acid resin and its applications in industrial wastewater treatment","authors":"Manisha Sankhla, A.V. Singh","doi":"10.25303/2710rjce032037","DOIUrl":"https://doi.org/10.25303/2710rjce032037","url":null,"abstract":"Presently, micro pollutants which occur in water resources worldwide are the main problematic issues causing hazardous effect on environment and harming human life. Polymeric resins are the effective adsorbents, which have properties like static chemical properties, high porosity and specific adsorbent sites. The new resin Guargum Mandelic Acid Resin (GMA), has been synthesized which is toxic free substance for the treatment of industrial waste water. Guargum Mandelic Acid Resin (GMA) has been used for the adsorption of heavy metal ions like Lead (Pb2+), Copper (Cu2+), Iron (Fe2+), Chromium (Cr²+), Zinc (Zn+²) etc. by batch and column method. The GMA resin was characterized by FTIR and SEM. In laboratory, experiments were performed at different pH range, concentration and time of contact.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135486730","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}
Pub Date : 2023-09-15DOI: 10.25303/2710rjce1150121
Ram Prakash, R.B. Singh, R.K. Vishnoi, K. Srivastava
An efficient and convenient synthesis of β-lactam/ thiazol derivatives has been achieved by the reaction of acetophenone, substituted aromatic aldehyde and thiourea yield substituted schiff’s bases which further undergo the cyclization in the presence of chloroacetyl chloride, triethyl amine/ZnCl2, thioglycoolic acid. All the synthesized novel derivatives have been established by % of C, N, S elements, FT-IR, 1H NMR and Mass spectral studies. Further in-vitro antimicrobial activity of novel derivatives was carried out against some Gram-positive and Gram-negative bacteria by serial dilution method. The activity of IIIc, IIId, IIc, IId, IIf derivatives showed significant response against the tested microbes.
以苯乙酮、取代芳醛和硫脲为原料，在氯乙酰氯、三乙胺/ZnCl2、巯基乙酸的存在下，生成取代席夫碱，并进行环化反应，合成了一种高效、方便的β-内酰胺/噻唑衍生物。所有合成的新衍生物均通过C, N, S元素的%，FT-IR, 1H NMR和质谱研究得到证实。采用连续稀释法进一步测定了新型衍生物对革兰氏阳性菌和革兰氏阴性菌的体外抑菌活性。IIIc、IIId、IIc、IId、IIf衍生物对被试微生物的活性有显著的响应。
{"title":"Synthesis, Characterization and biological activity of some novel heterocyclic β-lactam/thiazol compounds derived from 4-phenyl-4,5-dihydrothiazol-2-yl-imino","authors":"Ram Prakash, R.B. Singh, R.K. Vishnoi, K. Srivastava","doi":"10.25303/2710rjce1150121","DOIUrl":"https://doi.org/10.25303/2710rjce1150121","url":null,"abstract":"An efficient and convenient synthesis of β-lactam/ thiazol derivatives has been achieved by the reaction of acetophenone, substituted aromatic aldehyde and thiourea yield substituted schiff’s bases which further undergo the cyclization in the presence of chloroacetyl chloride, triethyl amine/ZnCl2, thioglycoolic acid. All the synthesized novel derivatives have been established by % of C, N, S elements, FT-IR, 1H NMR and Mass spectral studies. Further in-vitro antimicrobial activity of novel derivatives was carried out against some Gram-positive and Gram-negative bacteria by serial dilution method. The activity of IIIc, IIId, IIc, IId, IIf derivatives showed significant response against the tested microbes.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135486736","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}
Pub Date : 2023-09-15DOI: 10.25303/2710rjce1220131
Samad Kamdod Abdul, V. Ektha, S. Shika, Pavan Kumar Malladi V.
Activated carbon was prepared using Nephelium lappaceum stem as the pre-cursor biomass. A bio-composite with chitosan and the activated carbon (NLAC) was synthesized. The activated carbon and the bio-composite were tested for the adsorptive removal of three dyes, namely Crystal violet (CV), Congo red (CR) and Methyl orange (MO), from their aqueous solutions. The characterization of each adsorbent revealed higher value for surface area, satisfactory mechanical strength, higher crystallinity as well as superior porosity. The batch adsorption equilibrium data were best fitted to Langmuir isotherm model. A maximum adsorption capacity of 212.1 mg/g was seen for CV using NLAC. For CR and MO, the maximum adsorption capacitity values were 182.57 mg/g and 64.21 mg/g respectively with CHS-NLAC composite. Electrostatic interaction was the dominant mechanism in the adsorption of the dyes and the rate controlling steps in the adsorption were reasoned in the kinetic studies.
{"title":"Biosorption of Crystal violet, Congo red and Methyl orange on Nephelium lappaceum stem-derived activated carbon and its composite with chitosan","authors":"Samad Kamdod Abdul, V. Ektha, S. Shika, Pavan Kumar Malladi V.","doi":"10.25303/2710rjce1220131","DOIUrl":"https://doi.org/10.25303/2710rjce1220131","url":null,"abstract":"Activated carbon was prepared using Nephelium lappaceum stem as the pre-cursor biomass. A bio-composite with chitosan and the activated carbon (NLAC) was synthesized. The activated carbon and the bio-composite were tested for the adsorptive removal of three dyes, namely Crystal violet (CV), Congo red (CR) and Methyl orange (MO), from their aqueous solutions. The characterization of each adsorbent revealed higher value for surface area, satisfactory mechanical strength, higher crystallinity as well as superior porosity. The batch adsorption equilibrium data were best fitted to Langmuir isotherm model. A maximum adsorption capacity of 212.1 mg/g was seen for CV using NLAC. For CR and MO, the maximum adsorption capacitity values were 182.57 mg/g and 64.21 mg/g respectively with CHS-NLAC composite. Electrostatic interaction was the dominant mechanism in the adsorption of the dyes and the rate controlling steps in the adsorption were reasoned in the kinetic studies.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135486578","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}
Plants, being effective antioxidant and antimicrobial agents, continue to play a key role in the healthcare. The present study was conducted to evaluate the antioxidant and the antimicrobial potential of polar (water, methanol and acetone) and non-polar (petroleum ether) extracts of stem bark and aerial root of F. benghalensis L. The total phenol, flavonoid and condensed tannin content exhibited high variation ranging from 75.84 ± 2.70 mg gallic acid equivalent (GAE)/g to 6.24 ± 2.34 mg GAE/g, 71.64 ± 03.71 mg quercetin equivalent (QE)/g to 09.14 ± 2.70 mg QE/g and 19.25 ± 0.58 mg catechin equivalent (CE)/g to 2.03 ± 1.2 mg CE/g respectively. Radical scavenging activity (RSA) was quantified by 2,2-dyphenyl-1-picrylhydrazyl (DPPH) and 2, 2’-azino-bis 3-ethylbenzothiazoline-6-sulphonic acid (ABTS) assay where % RSA ranged considerably. Antimicrobial activity was estimated by investigating zone of inhibition (ZOI) and minimum inhibitory concentration (MIC) against Gram-positive (Bacillus subtilis and Staphylococcus aureus) and Gram-negative (Salmonella typhi and Escherichia coli) bacteria and fungal strains (Aspergillus niger, Fusarium oxysporum and Rhizopus oryzae). The diameter of ZOI ranged from 9.5 ± .88mm to 6.2 ± .88mm for different bacterial strains whereas from 9.2 ± 1.6mm to 6.2 ± .90mm for fungal strains. MIC values ranged between 50μg/μl to 0.024μg/μl against both bacterial and fungal strains. Methanolic extracts were further analyzed using Gas Chromatography-Mass Spectrometry (GC-MS) for their phytochemical profile since they showed higher antioxidant and antimicrobial activity. This study supports the use of Ficus benghalensis L. in microbial infection therapy.
{"title":"Phytochemical profiling, antioxidant and antimicrobial activity of aerial parts (stem bark and aerial roots) of Ficus benghalensis L.","authors":"Preeti Singh, Jyotika Dhankhar, Asha Sharma","doi":"10.25303/2710rjce072087","DOIUrl":"https://doi.org/10.25303/2710rjce072087","url":null,"abstract":"Plants, being effective antioxidant and antimicrobial agents, continue to play a key role in the healthcare. The present study was conducted to evaluate the antioxidant and the antimicrobial potential of polar (water, methanol and acetone) and non-polar (petroleum ether) extracts of stem bark and aerial root of F. benghalensis L. The total phenol, flavonoid and condensed tannin content exhibited high variation ranging from 75.84 ± 2.70 mg gallic acid equivalent (GAE)/g to 6.24 ± 2.34 mg GAE/g, 71.64 ± 03.71 mg quercetin equivalent (QE)/g to 09.14 ± 2.70 mg QE/g and 19.25 ± 0.58 mg catechin equivalent (CE)/g to 2.03 ± 1.2 mg CE/g respectively. Radical scavenging activity (RSA) was quantified by 2,2-dyphenyl-1-picrylhydrazyl (DPPH) and 2, 2’-azino-bis 3-ethylbenzothiazoline-6-sulphonic acid (ABTS) assay where % RSA ranged considerably. Antimicrobial activity was estimated by investigating zone of inhibition (ZOI) and minimum inhibitory concentration (MIC) against Gram-positive (Bacillus subtilis and Staphylococcus aureus) and Gram-negative (Salmonella typhi and Escherichia coli) bacteria and fungal strains (Aspergillus niger, Fusarium oxysporum and Rhizopus oryzae). The diameter of ZOI ranged from 9.5 ± .88mm to 6.2 ± .88mm for different bacterial strains whereas from 9.2 ± 1.6mm to 6.2 ± .90mm for fungal strains. MIC values ranged between 50μg/μl to 0.024μg/μl against both bacterial and fungal strains. Methanolic extracts were further analyzed using Gas Chromatography-Mass Spectrometry (GC-MS) for their phytochemical profile since they showed higher antioxidant and antimicrobial activity. This study supports the use of Ficus benghalensis L. in microbial infection therapy.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135486577","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}
Naveen Karingula, Guru Lakshmi Poreddy, Akanksha Dubey, Jayanthi Sivaraman
In the current study, potent inhibitors of a-amylase, one of the significant regulating enzymes in diabetes, were identified from the methanolic extract of Aloe barbadensis miller (Aloe vera), an indigenous herbal plant used to treat carbohydrate absorption problems such as diabetes and obesity. The Aloe vera gel extract was dried, ground, macerated with methanol and subjected to phytochemical screening, which was characterized by gas chromatography. Since there is a rapid increase in computational methods to predict the association between two molecules, molecular docking studies assessed the effect of AVM (Aloe vera methanol) extract in inhibiting the enzyme alpha-amylase. The molecules derived from GC-MS analysis were employed as ligands for the receptor α-amylase in molecular docking experiments. The protein target used in this study was the human pancreatic α-amylase with PDB-ID -2QV4. The protein target and ligand structures were obtained from PDB and Pubchem databases respectively and docking studies were performed using PyRx. In this study, we intended to find distinct phytochemical substances from the Aloe vera plant as α-amylase inhibitors with an objective that the molecular docking studies provided in this study might result in the discovery of effective α-amylase inhibitors for diabetic management.
{"title":"In silico docking studies of alpha-amylase inhibitors from the methanol extract of Aloe vera","authors":"Naveen Karingula, Guru Lakshmi Poreddy, Akanksha Dubey, Jayanthi Sivaraman","doi":"10.25303/2710rjce960104","DOIUrl":"https://doi.org/10.25303/2710rjce960104","url":null,"abstract":"In the current study, potent inhibitors of a-amylase, one of the significant regulating enzymes in diabetes, were identified from the methanolic extract of Aloe barbadensis miller (Aloe vera), an indigenous herbal plant used to treat carbohydrate absorption problems such as diabetes and obesity. The Aloe vera gel extract was dried, ground, macerated with methanol and subjected to phytochemical screening, which was characterized by gas chromatography. Since there is a rapid increase in computational methods to predict the association between two molecules, molecular docking studies assessed the effect of AVM (Aloe vera methanol) extract in inhibiting the enzyme alpha-amylase. The molecules derived from GC-MS analysis were employed as ligands for the receptor α-amylase in molecular docking experiments. The protein target used in this study was the human pancreatic α-amylase with PDB-ID -2QV4. The protein target and ligand structures were obtained from PDB and Pubchem databases respectively and docking studies were performed using PyRx. In this study, we intended to find distinct phytochemical substances from the Aloe vera plant as α-amylase inhibitors with an objective that the molecular docking studies provided in this study might result in the discovery of effective α-amylase inhibitors for diabetic management.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135486733","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}
Among the large variety of organic compounds, heterocycles are interesting compounds widely occurring in nature, showing biological activities. Dihydropyridine (DHP) is a privileged scaffold having nitrogen in a six-membered cyclic ring as a central moiety. DHP is a significant compound studied in medicinal chemistry and pharmacology activities. Therefore, organic chemists have made considerable efforts to create new drug candidates with DHP subunits associated with a known or possible pharmacophore. The Hantzsch is a well-studied synthesis of DHP and pyridines and is currently one of the reliable approaches for preparing various DHP derivatives along with new approaches. The most recent studies on diverse synthesis methods for DHP derivatives during the preceding years were highlighted in this study. The main objective of this review is to discuss various approaches for synthesizing dihydropyridine derivatives and documented rife literature on the different pharmacological applications of these versatile scaffold. The supreme importance is given to 1, 4 DHP in the survey according to their pharmacological activity.
{"title":"Recent synthetic and biological aspects of 1, 4-dihydro pyridine derivatives","authors":"Sushma Garapati, Babi Lakkoju, Vandana Vemulapalli, Gowri Sankar Redipalli","doi":"10.25303/2710rjce1370144","DOIUrl":"https://doi.org/10.25303/2710rjce1370144","url":null,"abstract":"Among the large variety of organic compounds, heterocycles are interesting compounds widely occurring in nature, showing biological activities. Dihydropyridine (DHP) is a privileged scaffold having nitrogen in a six-membered cyclic ring as a central moiety. DHP is a significant compound studied in medicinal chemistry and pharmacology activities. Therefore, organic chemists have made considerable efforts to create new drug candidates with DHP subunits associated with a known or possible pharmacophore. The Hantzsch is a well-studied synthesis of DHP and pyridines and is currently one of the reliable approaches for preparing various DHP derivatives along with new approaches. The most recent studies on diverse synthesis methods for DHP derivatives during the preceding years were highlighted in this study. The main objective of this review is to discuss various approaches for synthesizing dihydropyridine derivatives and documented rife literature on the different pharmacological applications of these versatile scaffold. The supreme importance is given to 1, 4 DHP in the survey according to their pharmacological activity.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135486579","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}
Diabetes mellitus is a serious disease that threatens human health. The most prevalent type of diabetes mellitus is type 2 (T2DM) which is characterized by the lack of insulin secretion and resistance to insulin in target tissues. Protein Tyrosine Phosphatase 1B (PTP1B) plays an important role in the dephosphorylation of phospho-tyrosine residues from the insulin receptor and its substrate. Studies have shown that overexpression of PTP1B protein and its increased activation have been associated with insulin resistance and thus it is a promising therapeutic target for type 2 diabetes. The discovery of selective and effective inhibitors on the active target site present a great challenge due to the site charge and the high degree of conserved active site. Therefore, the identified allosteric site of enzyme PTP1B was chosen to design and evaluate ligands based on effectiveness and selectivity, then filter the compounds based on their ADMET properties in silico to identify the potential inhibitors of the PTP1B enzyme. Among the designed molecules, 14 compounds were obtained with better affinity and selectivity for PTP1B. Some of these compounds showed acceptable pharmacokinetic properties of ADMET and were expected to be non-mutagenic. Thus, they can be considered as promising PTP1B inhibitors.
{"title":"Development and In silico ADMET Analysis of Novel Flavonoids Derivatives as Potent, Non-Competitive and Selective PTP1B Inhibitors","authors":"Eman Faiad, Faten Alchab","doi":"10.25303/2710rjce01009","DOIUrl":"https://doi.org/10.25303/2710rjce01009","url":null,"abstract":"Diabetes mellitus is a serious disease that threatens human health. The most prevalent type of diabetes mellitus is type 2 (T2DM) which is characterized by the lack of insulin secretion and resistance to insulin in target tissues. Protein Tyrosine Phosphatase 1B (PTP1B) plays an important role in the dephosphorylation of phospho-tyrosine residues from the insulin receptor and its substrate. Studies have shown that overexpression of PTP1B protein and its increased activation have been associated with insulin resistance and thus it is a promising therapeutic target for type 2 diabetes. The discovery of selective and effective inhibitors on the active target site present a great challenge due to the site charge and the high degree of conserved active site. Therefore, the identified allosteric site of enzyme PTP1B was chosen to design and evaluate ligands based on effectiveness and selectivity, then filter the compounds based on their ADMET properties in silico to identify the potential inhibitors of the PTP1B enzyme. Among the designed molecules, 14 compounds were obtained with better affinity and selectivity for PTP1B. Some of these compounds showed acceptable pharmacokinetic properties of ADMET and were expected to be non-mutagenic. Thus, they can be considered as promising PTP1B inhibitors.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135486580","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 study aimed to explore the phytochemicals present in the aqueous and ethanolextracts of Asparagus racemosus Linn seeds by GC-MS and LC-MS analysis and to determine the neuro protective and antioxidant potential of both the extracts. The GC-MS and LC-MS analysis of the aqueous and ethanol seed extract indicated the presence of various chemical constituents such as ascorbic acid, hydroxycinnamic acid, fatty acids, pyroglutamic acid, pentanoic acid, decanoic acid, hexadecanoic acid, naphthalene, hydroxycinnamic acid, thiamine hydrochloride, coumaroyl putrescin, agrimol, epanorin, brevicarine, rubiadin, pyroglutamic acid, tyrosine derivative, linoleyl acetate etc. Neuroprotective effect of aqueous and ethanol extracts of Asparagus racemosus Linn seeds on SHSY5Y cell line was evaluated by MTT assay and the results showedthat ethanol extract of the plant got more neuroprotective activity on cell lines. The antioxidant results showed that both of the extracts had almost similar DPPH and ABTS radical scavenging. However, the ethanol extract had more potent antioxidant power than the aqueous extract. Study data suggest that whole plant of Asparagus racemosus Linn seeds possessed neuroprotective and anti-oxidative activities and the best neuroprotective and anti-oxidant activity being exhibited by the ethanolic extract of the plant.
{"title":"An in-depth and in vitro evaluation of the antioxidant and neuroprotective activity of aqueous and ethanolic extract of Asparagus racemosus Linn seed","authors":"Anubhav Dubey, Niladry Ghosh, Ranjit Singh","doi":"10.25303/2710rjce046066","DOIUrl":"https://doi.org/10.25303/2710rjce046066","url":null,"abstract":"The study aimed to explore the phytochemicals present in the aqueous and ethanolextracts of Asparagus racemosus Linn seeds by GC-MS and LC-MS analysis and to determine the neuro protective and antioxidant potential of both the extracts. The GC-MS and LC-MS analysis of the aqueous and ethanol seed extract indicated the presence of various chemical constituents such as ascorbic acid, hydroxycinnamic acid, fatty acids, pyroglutamic acid, pentanoic acid, decanoic acid, hexadecanoic acid, naphthalene, hydroxycinnamic acid, thiamine hydrochloride, coumaroyl putrescin, agrimol, epanorin, brevicarine, rubiadin, pyroglutamic acid, tyrosine derivative, linoleyl acetate etc. Neuroprotective effect of aqueous and ethanol extracts of Asparagus racemosus Linn seeds on SHSY5Y cell line was evaluated by MTT assay and the results showedthat ethanol extract of the plant got more neuroprotective activity on cell lines. The antioxidant results showed that both of the extracts had almost similar DPPH and ABTS radical scavenging. However, the ethanol extract had more potent antioxidant power than the aqueous extract. Study data suggest that whole plant of Asparagus racemosus Linn seeds possessed neuroprotective and anti-oxidative activities and the best neuroprotective and anti-oxidant activity being exhibited by the ethanolic extract of the plant.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135486729","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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