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8th International Conference on Material Engineering and Nanotechnology, ICMEN 2024

作者： Nagaraj, Shobana Berrino, Carlo Prinsloo, Aletta Mohanty, Pankaj Pandian, Ramesh Penny, Clement Sheppard, Charles Chromium Research Group Department of Physics University of Johannesburg PO Box 524 Johannesburg South Africa Division of Oncology Faculty of Health Sciences University of the Witwatersrand Johannesburg2050 South Africa Protein Structure-Function Research Unit School of Molecular and Cell Biology University of the Witwatersrand Johannesburg2050 South Africa

ISBN: (纸本)9789819636235

In this contribution, the characteristics and anticancer activity of chromium (Cr) doped Fe3O4 nanoparticles, of the form Fe2+(Fe3+0.95Cr3+0.05)2O4, with 0 3O4 nanoparticles were synthesized using the green synthesis method, employing extract derived from the Krantz aloe (Aloe arborescens) plant that is indigenous to Southern Africa. For comparison, undoped Fe3O4 nanoparticles were also prepared in a similar fashion, as to study the impact of the Cr doping on the impact of the compounds’ anticancer activities. Characterization, done using x-ray diffraction (XRD), confirmed the nanoparticles’ purity and crystalline nature. Transmission electron microscopy (TEM) gives particle sizes of 18 ± 1 nm and 6 ± 1 nm for the Fe3O4 and Cr-doped Fe3O4, respectively. Magnetic characterization indicates the ferrimagnetic behaviour of the particles. Fourier-transform infrared spectroscopy (FTIR) is used to probe the bonding environment of the ions. The results of cell viability assays proves that the green synthesized Fe3O4 and Cr-doped Fe3O4 nanoparticles exhibited anticancer activity when tested against colorectal adenocarcinoma (DLD-1) cells;as well as the ability to destroy more cancerous cells compared to healthy human embryonic kidney (HEK-293) cells. Present results indicate that the Cr-doped Fe3O4 nanoparticles were smaller in size and showed enhanced anticancer activity when compared to the undoped Fe3O4 nanoparticles. © The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2025.

关键词： Fourier transform infrared spectroscopy

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Cucumeropsis mannii seed oil shields against cyclophosphamide-induced hepatorenal toxicity by modulating redox imbalance and iNOS/IL-β1 signalling in rats

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Heliyon 2025年第2期11卷 e41624页

作者： Agbara, Amaka Cecilia Eze, Ejike Daniel Offor, Christian Emeka Afodun, Adam Moyosore Ekpono, Ezebuilo Ugbala Agu, Peter Chinedu Aloke, Chinyere Ezeani, Nkeiru Nwaamaka Ikuomola, Emmanuel Orire Etukudo, Ekom Monday Fasogbon, Ilemobayo Victor Musyoka, Angela Mumbua Aja, Patrick Maduabuchi Department of Biochemistry Faculty of Science Ebonyi State University Abakaliki Nigeria Department of Biochemistry Faculty of Biomedical Sciences Kampala International University Uganda Department of Physiology School of Medicine Kabale University Kabale Uganda Department of Anatomy and Cell Biology Faculty of Health Sciences Busitema University Uganda Department of Science Laboratory Technology Biochemistry Option Federal Polytechnic Oko Anambra State Nigeria Department of Medical Biochemistry Faculty of Basic Medical Sciences College of Medicine Alex-Ekwueme Federal University Ndufu-Alike Ikwo Ebonyi State Nigeria Protein Structure-Function and Research Unit School of Molecular and Cell Biology Faculty of Science University of the Witwatersrand Braamfontein Johannesburg 2050 South Africa Department of Physiology Faculty of Biomedical Sciences Kampala International University Uganda Department of Human Anatomy Faculty of Biomedical Sciences Kampala International University Uganda

This study aimed to determine whether C. mannii seed oil (CMSO) could shield rats from cyclophosphamide-induced hepatorenal toxicity. The focus was on its antioxidant and anti-inflammatory properties. We randomly assigned thirty-six (36) male Wistar rats into six groups of six rats each. Groups A and B served as normal and negative controls, respectively. Group C, the standard control, was administered 300 mg/kg body weight (bw) of Omega 3 oil for 27 days, followed by 100 mg/kg bw of cyclophosphamide on day 28. Group D, E, and F received 5, 2.5, and 1.5 ml/kg b.w. of CMSO for 27 days, then 100 ml/kg b.w. of cyclophosphamide on day 28. We measured the body weights of the experimental rats every week. Rats of all groups were sacrificed on day 30 and collected blood for biochemical analysis using standard methods. The phytochemical constituents were determined by the spectrophotometric method. The phytochemical study of CMSO indicated the relative composition of constituents(mg/100g) as phenols (30 %), tannins (20 %), flavonoids (18 %), terpenoids (15 %), glycosides (10 %), alkaloids (5 %), and HCN (2 %) in Cucumeropsis mannii seed oil. When cyclophosphamide was given to Wistar albino rats, it greatly decreased the activities of catalase (CAT) and superoxide dismutase (SOD), but it increased the activities of iNOS and the levels of MDA and IL-1β. Cyclophosphamide increased ALT (52.3 U/L), AST (48.7 U/L), ALP (46.5 U/L), total bilirubin (1.4 mg/dL), conjugated bilirubin (0.8 mg/dL), creatinine (0.8 mg/dL), urea (45.6 mg/dL), and BUN (15.7 mg/dL), with a reduction in the albumin (4.8 g/dL) level. Cyclophosphamide administration also caused hepatocellular necrosis, inflammatory leukocyte infiltration, tubular necrosis, and proteinaceous deposits in Bowman's space in the kidney. However, combining CMSO and Omega 3 oils significantly restored the altered histology architecture, antioxidant, inflammatory markers, and liver and kidney function parameters to levels comparable

关键词： C. mannii seed oil cyclophosphamide Liver and kidney toxicity Prophylactic efficacy

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Two-Step Preparation of Highly Pure, Soluble HIV Protease from Inclusion Bodies Recombinantly Expressed in Escherichia coli

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Current Protocols in protein Science 2020年第1期100卷 e106页

作者： Sherry, Dean Worth, Roland Sayed, Yasien Protein Structure-Function Research Unit School of Molecular and Cell Biology University of Witwatersrand Johannesburg South Africa

Heterologous expression of exogenous proteases in Escherichia coli often results in the formation of insoluble inclusion bodies. When sequestered into inclusion bodies, the functionality of the proteases is minimized. To be characterized structurally and functionally, however, proteases must be obtained in their native conformation. HIV protease is readily expressed as inclusion bodies, but must be recovered from the inclusion bodies. This protocol describes an efficient method for recovering HIV protease from inclusion bodies, as well as refolding and purifying the protein. HIV protease–containing inclusion bodies are treated with 8 M urea and purified via cation-exchange chromatography. Subsequent refolding by buffer exchange via dialysis and further purification by anion-exchange chromatography produces highly pure HIV protease that is functionally active. © 2020 by John Wiley & Sons, Inc. Basic Protocol: Recovery, refolding, and purification of HIV protease from inclusion bodies. Support Protocol 1: Expression and extraction of inclusion bodies containing HIV protease expressed in Escherichia coli. Support Protocol 2: Determination of the active site concentration of HIV protease via isothermal titration calorimetry. © 2020 John Wiley & Sons, Inc.

关键词： HIV protease inclusion bodies ion-exchange chromatography protein purification protein refolding

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Targeting Androgen Receptor Overexpression and Hsp27 Inhibition in Glioblastoma: A Comprehensive in Silico Investigation

SSRN

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SSRN 2024年

作者： Iwuchukwu, Emmanuel Amarachi Achilonu, Ikechukwu Protein Structure-Function and Research Unit School of Molecular and Cell Biology Faculty of Science University of the Witwatersrand Braamfontein Johannesburg2050 South Africa

Glioblastoma (GBM), a cancer type, overexpresses heat shock protein 27 (HSP27), a member of heat shock proteins (HSPs) that activates the nuclear androgen receptor's (AR) transcriptional activity. Blocking AR signalling may be effective in treating GLM, as HSP27 inhibition can block AR activity, preventing GLM. Computer techniques were utilized to analyse the different structural dynamics of lead-optimized COMP2 and COMP3, revealing enhanced activity compared to the lead candidate, COMP1. The obtained alignment of the re-docked ligands with the co-crystalized peptide confirms docking accuracy. The structural analysis indicates that the compound binding disrupted the 3D structures of Hsp27, leading to structural trends that suggest inhibition. A critical look at the ligand-bound amino acid behavior suggests slight rigidity relative to the apo, thus suggesting inactivation. Recurring observations suggest that Arg140 and His103 are crucial for binding stabilization in the first pocket, whereas when COMP2 migrates to the second pocket, Thr143 appears to be more prominent for binding stabilization. An estimated Gbind of -31.59±6.34 Kcal/mol and -33.61±4.09 Kcal/mol was obtained for COMP1 and COMP3, respectively, whereas COMP21st and COMP2nd exhibited a Gbind of -21.96±8.16 Kcal/mol and -18.36±5.76 Kcal/mol;the reduction in the energy value of COMP2 in the second pocket could be due to shared pocket binding. The structural and pattern of dynamics exhibited by COMP2 seem to suggest that it is a dual binder. The examined compounds have shown promise as potential drug-like candidates in a variety of pharmacokinetic and physicochemical investigations. The study suggests the development of novel HSP27 inhibitors that can effectively block GLM. © 2024, The Authors. All rights reserved.

关键词： Stabilization

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Crystal Enigma: Understanding Diverse protein Conformational Dynamics, Ligand Selectivity and Interaction in Multi-Space Group Crystals Using Computational Modelling

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SSRN 2024年

作者： Mfeka, Mbalenhle Onisuru, Olalekan Pandian, Ramesh Khoza, Thandeka Sayed, Yasien Achilonu, Ikechukwu Department of Biochemistry School of Life Sciences College of Agriculture Engineering & Science University of KwaZulu-Natal Pietermaritzburg3209 South Africa Protein Structure-Function and Research Unit School of Molecular and Cell Biology Faculty of Science University of the Witwatersrand Braamfontein Johannesburg2000 South Africa

Empirical structural methods have been instrumental in drug design, but they often fall short of capturing protein dynamics. To address this limitation, computer-aided drug design (CADD) is essential. Given that Schistosoma bovis 28 kDa-Glutathione S-Transferase (Sb28GST) is a promising anti-schistosome drug target, a careful selection of crystal structure space groups used for CADD is emphasized in this study. Sb28GST was successfully overexpressed, purified, and crystallized at 2.4 Å in an orthorhombic space group. High-throughput virtual screening (HTVS) of a flavonoid compound was performed on monoclinic 8ALS and orthorhombic 8BHZ Sb28GST to identify potential ligands. The results showed a diverse selection of hit compounds with apigenin 7-O-(2G-rhamnosyl)gentiobioside (apigenin) being the common ligand. However, quercetin-3-O-Beta-D-Glucose-7-O-Beta-D-Gentiobioside (quercetin) showed the highest affinity to 8ALS with a Glide gscore of -15.66 kcal/mol. Also, 500-ns molecular dynamics simulations (MDS) of the 8ALS-Sb28GST and 8BHZ-Sb28GST apo systems, as well as their corresponding apigenin and quercetin complexes, show two distinct trajectories which reveal significant differences in their dynamic behaviour and also showed varying interactions. This highlights the need for collective assessment of protein polymorphs to comprehensively understand protein dynamics. The inhibitory potency of apigenin and quercetin via a GSH-CDNB conjugation assay confirmed that they significantly reduced the specific enzyme activity of Sb28GST with both ligands having half-maximal inhibitory concentration (IC50) of 0.13 mM. Extrinsic fluorescence studies and thermal shift assay indicated that these compounds bind to the hydrophobic H-site and allosteric L-site at the dimer interface and have a minimal effect on the protein's thermal stability. © 2024, The Authors. All rights reserved.

关键词： Ligands

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Corrigendum to “Towards the synthesis of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors” [Tetrahedron Lett. 51 (2010) 6325–6328]

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Tetrahedron Letters 2013年第48期54卷 6669-6669页

作者： Temitope O. Olomola Rosalyn Klein Kevin A. Lobb Yasien Sayed Perry T. Kaye Department of Chemistry and Centre for Chemico- and Biomedicinal Research Rhodes University Grahamstown 6140 South Africa Protein Structure-Function Research Unit School of Molecular and Cell Biology University of the Witwatersrand Johannesburg South Africa

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Corrigendum to “Synthesis and evaluation of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors” [Bioorg. Med. Chem. 21 (2013) 1964–1971]

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Bioorganic & Medicinal Chemistry 2013年第21期21卷 6856-6856页

作者： Temitope O. Olomola Rosalyn Klein Nicodemus Mautsa Yasien Sayed Perry T. Kaye Department of Chemistry and Centre for Chemico- and Biomedicinal Research Rhodes University Grahamstown 6140 South Africa Protein Structure-Function Research Unit School of Molecular and Cell Biology University of the Witwatersrand Johannesburg South Africa

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protein engineering for natural product biosynthesis:expanding diversity for therapeutic applications

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Journal of Bio-X research 2023年第2期6卷 49-60页

作者： Sarah Oluwatobi Otun Jordy Alexis Lerma-Escalera Khayalethu Ntushelo Ikechukwu Achilonu Protein Structure-Function and Research Unit School of Molecular and Cell BiologyFaculty of ScienceUniversity of the WitwatersrandBraamfontein 2050JohannesburgSouth Africa Facultad de Ciencias Químicas Universidad Autónoma de Nuevo LeónSan Nicolás de los GarzaMexico Centro de Investigación en Biotecnología y Nanotecnología Facultad de Ciencias QuímicasParque de Investigación e Innovación TecnológicaUniversidad Autónoma de Nuevo LeónApodacaMexico Department of Agriculture and Animal Health University of South AfricaFlorida 1710South Africa

In this dispensation of the fourth industrial revolution,protein engineering has become a popular approach for increasing enzymatic activity,stability,and titer in the biosynthesis of natural *** is attributed to its numerous advantages(over direct isolation from plants or via chemical synthesis),including decreasing or eliminating reaction byproducts,high precision,moderate handling of intricate and chemically unstable chemicals,overall reusability,and cost ***,protein engineering tools have advanced to redesign and enhance natural product *** methods include direct evolution,substrate engineering,medium engineering,enzyme engineering and immobilization,structure-assisted protein engineering,and advanced *** successes in implementing these emerging protein engineering technologies were critically discussed in this ***,the advantages,limitations,and applications in industrial and medical biotechnology were ***,future research directions and potential were also highlighted.

关键词： antibodies engineering industrial enzymes natural product biosynthesis protein engineering polyketides synthetic biology

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Inside Cover: Pentacycloundecane-diol-Based HIV-1 Protease Inhibitors: Biological Screening, 2DNMR, and Molecular Simulation Studies (ChemMedChem 6/2012)

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ChemMedChem 2012年第6期7卷 938-938页

作者： Dr. Bahareh Honarparvar Dr. Maya M. Makatini Sachin A. Pawar Dr. Katja Petzold Dr. Mahmoud E. S. Soliman Prof. Per I. Arvidsson Dr. Yasien Sayed Dr. Thavendran Govender Dr. Glenn E. M. Maguire Prof. Hendrik G. Kruger School of Chemistry University of KwaZulu-Natal Durban 4001 (South Africa) School of Pharmacy and Pharmacology University of KwaZulu-Natal Durban 4001 (South Africa) Department of Pharmaceutical Organic Chemistry Zagazig University Zagazig 44519 (Egypt) Organic Pharmaceutical Chemistry Uppsala Biomedical Centre Uppsala University Box 574 751 23 Uppsala (Sweden) Project Management CNSP iMed AstraZeneca R & D Södertälje Västra Mälarehamnen 9 151 85 Södertälje (Sweden) Protein Structure–Function Research Unit School of Molecular and Cell Biology University of the Witwatersrand Wits 2050 (South Africa)

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HPLC phytochemical profiling, antioxidant activity and in vitro evaluation of inhibitory effects of Terminalia catappa stem bark extract on enzymes linked to diabetes, hypertensive vasoconstriction and erectile dysfunction

Pharmacological Research - Natural Products

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Pharmacological research - Natural Products 2024年 4卷

作者： Patience N. Ogbu Ademola C. Famurewa Chidinma K. Ugbor Ikechukwu M. Ogbu Chinyere Aloke Nwogo A. Obasi Tawakalitu A. Aliu Arunaksharan Narayanankutty Department of Medical Biochemistry Faculty of Basic Medical Sciences College of Medical Sciences Alex Ekwueme Federal University Ndufu-Alike Nigeria Centre for Natural Products Discovery School of Pharmacy and Biomolecular Sciences Faculty of Science Liverpool John Moores University Byrom Street Liverpool L3 3AF United Kingdom Department of Chemistry Faculty of Physical Sciences Alex Ekwueme Federal University Ndufu-Alike Nigeria Protein Structure-Function and Research Unit School of Molecular and Cell Biology Faculty of Science University of the Witwatersrand Braamfontein Johannesburg 2050 South Africa Division of Cell and Molecular Biology PG and Research Department of Zoology St Joseph’s College (Autonomous) Devagiri Kerala India

Background Terminalia catappa is a traditional medicinal plant used for several ailments among the local folks. Among the locals, the stem bark is an important constituent of polyherbal remedies for the treatment of cancer and metabolic diseases; however, there is a paucity of scientific reports on it. This study aimed to evaluate the in vitro antidiabetic, antihypertensive and antierectile dysfunction effects of Terminalia catappa stem bark extract (TSBE). Methods The HPLC phytochemical profiling, total phenol content, total flavonoid content and antioxidant capacity of the extract were delineated. The inhibitory effects of TSBE on activities of α-glucosidase, α-amylase, acetylcholinesterase (AChE), arginase, phosphodiesterase-5′ (PDE-5′), angiotensin-converting enzyme (ACE) and ecto-5 nucleotidase (Ecto-5-NTD) were estimated following standard procedures. Results HPLC of TSBE profiled ferulic acid, gallic acid, caffeic acid, catechin, rutin, p -coumaric acid, chlorogenic acid, kaempferol, apiginin and quercetin. TSBE had IC 50 values of 49.19 µg/mL and 55.42 µg/mL in terms of scavenging DPPH and NO radicals, respectively. The TSBE inhibited α-glucosidase and α-amylase activities with IC 50 values of 71.53 µg/mL and 105.11 µg/mL, respectively. The inhibitory effects of TSBE on AChE, arginase, PDE-5′, and ACE revealed IC 50 values higher than that of standards. TSBE demonstrated a stimulatory effect on ecto-5-NTD activity. Conclusion TSBE revealed promising antioxidant, antidiabetic, antihypertensive and antierectile dysfunction (anti-ED) properties which may be associated with the bioactive compounds present in the extract.

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