International Journal of Biological Macromolecules最新文献

{"title":"Magnetic carrageenan gum-grafted-polyacrylamide nanocomposite for uptake of cationic dyes from the aquatic systems.","authors":"Mohammad Mehdi Salehi, Shefa Mirani Nezhad, Leila Choopani, Sara Asghari, Seyedeh Mahsa Safavi, Farhad Shirini, Haniyeh Gholamikafshgari, Ali Maleki, Ehsan Nazarzadeh Zare","doi":"10.1016/j.ijbiomac.2024.137796","DOIUrl":"10.1016/j.ijbiomac.2024.137796","url":null,"abstract":"<p><p>Using an ex-situ growth approach, this research fabricated k Carrageenan/Polyacrylamide@magnetite nanocomposites (NCs), (k-Car/PAM@Magnetite NCs). The k-Carrageenan (k-Car) backbone was modified through graft polymerization of acrylamide (PAm) via radical polymerization using ammonium persulfate (APS) as the initiator. N'-N' methylenebisacrylamide (MBAA) was used as the cross-linking agent, and magnetic nanoparticles (MNPs) were incorporated to impart magnetic properties. The successful synthesis of the k-Car/PAM@Magnetite NCs was confirmed through various analyses, including FT-IR, FESEM, EDS, XRD, VSM, BET, TGA, and Zeta. The adsorption effectiveness of the NCs for removing methylene blue (MB) and rhodamine B (RhB) from wastewater was evaluated by optimizing experimental parameters such as pH, adsorbent dosage, agitation time, and initial dye concentration. The NCs demonstrated a maximum adsorption capacity according to the Langmuir Isotherm (Q_max) of 204.082 mg. g^-1 for MB and 200 mg.g^-1 for RhB using 0.004 g of NCs.The adsorption data fit the Freundlich non-linear isotherm model well, and the kinetic data followed a pseudo-second-order (PSO) model. It is evident from the thermodynamic parameters that adsorption is an endothermic process that is spontaneous and favourable. The k-Car/PAM@Magnetite NCs also exhibited excellent regeneration capabilities, maintaining high adsorption efficiency after three consecutive adsorption-desorption cycles.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"137796"},"PeriodicalIF":7.7,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666665","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation of citrus fiber from lemon peel residue: Effects of structure and endogenous pectin components on emulsifying properties of citrus fiber.","authors":"Rong Xiao, Jun-Ru Qi, Jin-Song Liao, Hui-Ying Wei, Ting Zhuo","doi":"10.1016/j.ijbiomac.2024.137679","DOIUrl":"10.1016/j.ijbiomac.2024.137679","url":null,"abstract":"<p><p>This study evaluated and compared the differences in structure and physicochemical properties between citrus fibers prepared after different degrees of pectin extraction and untreated citrus fibers. The results showed that the partial hydrolysis and release of internal pectin would cause the physical and chemical properties of citrus fibers to show a tendency to increase and then decrease with treatment time, with a steady increase in crystallinity and thermal stability. The water-holding capacity (15.81 g/g), swelling capacity (12.50 mL/g), and oil-holding capacity (3.33 g/g) of CF-5 h still remained noticeably higher than those of CF. The SEM results demonstrated that at the pectin extraction time of 5 h, the internal network structure of the cell wall of CF-5 h prepared at this time was maximized in terms of looseness. Meanwhile, the emulsion prepared from CF-5 h had the best emulsification properties, which were characterized by the smallest emulsion particle size(d_4，3 = 10.40 μm), the best rheological properties, and excellent emulsion stability. Overall, the citrus fibers prepared after a certain degree of pectin extraction showed good performance in terms of physicochemical properties and emulsification performance.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"137679"},"PeriodicalIF":7.7,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rheological behavior and release dynamics of pregelatinized pink potato starch modified by stearic acid.","authors":"Rohit Kumar, John F Kennedy, K Jayaram Kumar","doi":"10.1016/j.ijbiomac.2024.137663","DOIUrl":"10.1016/j.ijbiomac.2024.137663","url":null,"abstract":"<p><p>The effects of stearic acid (5 %, 10 %, and 15 % w/w) and pregelatinized pink potato starch (20, 25, and 30 min) on complex formation, physicochemical properties, rheology, and release characteristics were investigated. Moisture content decreased from 14.26 % in pregelatinized starch to 13.25 %, 12.85 %, and 11.45 % in complexes with 5 %, 10 %, and 15 % stearic acid, respectively. Water-holding capacity dropped from 268.68 % to 128.26 %, 95.05 %, and 50.63 %, with increasing stearic acid concentrations. Swelling and solubility power also decreased, with swelling power reducing from 5.57 % to 3.45 % and solubility from 12.75 % to 10.34 %. Micromeritic evaluations showed improved flowability in starch-stearic acid complexes. X-ray diffraction revealed a V-type crystalline complex with characteristic peaks at 7°, 21°, 22°, and 24°, and additional peaks at 7° and 41°. FTIR spectra indicated complex formation with bands around 2917 and 1700 cm^-1. FESEM imaging showed intact granules with irregular shapes and protruding amylose fragments. Rheological assessments indicated reduced viscosity and altered viscoelastic properties in the complexes. In-vitro release studies demonstrated controlled drug release, suggesting potential applications for targeted pharmaceutical delivery. This study emphasizes the functional modifications induced by stearic acid in pregelatinized starch, enhancing material properties for industrial and biomedical applications.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"137663"},"PeriodicalIF":7.7,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Icaritin production from Epimedium folium extract by a one-pot enzymatic cascade of a multifunctional glycosidase and rhamnosidase.","authors":"Jingjing Zhang, Jing Huang, Yufan Yang, Daxin Zhao, Cong Wang, Peng Zhong, Jianhua Jia, Weifan Dang, Qiwei Lu, Chengyu Zhang, Xiaohui Yan","doi":"10.1016/j.ijbiomac.2024.137784","DOIUrl":"10.1016/j.ijbiomac.2024.137784","url":null,"abstract":"<p><p>Icaritin (ICT), a compound with diverse biological activities derived from Epimedium folium, is typically present in low concentrations in EFs. However, the abundant glycosyl-modified ICT compounds facilitate its transformation into ICT. Current biocatalytic production faces challenges, including low conversion rates and limited enzyme activity. This study developed a one-pot enzymatic cascade strategy for directly biotransform crude extracts of Epimedium folium (EEF) to produce ICT. The feasibility of catalyzing different ICT-related compounds in EEF was validated through molecular docking and substrate reactions. The selected glycosidase exhibited simultaneous activities as a glucosidase, xylosidase, and α-1,6-rhamnosidase, with the rhamnosidase showing outer-rhamnosidic activity and weak glucosidase activity. By using EFs as the substrate and employing whole-cells (Escherichia coli) containing LacS and BtRha proteins for synergistic catalysis, icariin can be efficiently synthesized within 6 h, achieving a conversion rate of 100 %. The enzymatic cascade for ICT production from crude extracts was elucidated by analyzing catalytic intermediates via HPLC. Compared to strategies using single or traditional multi-enzyme applications, this method shows advantages of ease to operation, high efficiency, and large production yield performance. This method has the potential to become an eco-friendly catalytic strategy for the large-scale production of icaritin.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"137784"},"PeriodicalIF":7.7,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ex-vivo antioxidant, enzyme inhibitory properties and computational analysis unveil the molecular mechanism of cardiac and penile phosphodiesterase-5 inhibition by bacterial strain HOKA1 extract as an aphrodisiac's agent.","authors":"Habeebat Adekilekun Oyewusi, Oluwatosin Olubunmi Oladipo, Hamdalat Folake Muritala, Abike Christianah Olaleye, Kolajo Adedamola Akinyede","doi":"10.1016/j.ijbiomac.2024.137513","DOIUrl":"10.1016/j.ijbiomac.2024.137513","url":null,"abstract":"<p><p>The study uses in-vitro antioxidant, ex-vivo enzyme kinetics and in-silico approach using standard protocols to understand their inhibitory mechanism better. The study revealed that bacterial strain HOKA1 isolated from Oniru beach, grown in nutrient agar supplemented with sodium chloride (30%NaCl). Moreso, the bacterial strain HOKA1 extract showed better antioxidant capability and greatly reduced the penile and cardiac cGMP with the highest penile and cardiac concentration between 0.013 and 0.183 μM/Min as compared to the sildenafil citrate (0.00-0.203 μM/Min). Moreover, the kinetic parameters (V_max and K_m) effects revealed that bacterial strain HOKA1 extract inhibited PDE-5 activities better than sildenafil citrate. The GC-MS analysis revealed twenty-nine bioactive compounds in the extract, and these compounds could provide comprehensible supporting evidence for the antioxidant and inhibitory potential of the strain HOKA1 extract on PDE-5 activity. Molecular docking study revealed majority of the GC-MS-identified bioactive constituents from the HOKA1 extract showed high binding energy or lower bonding affinities (-6.8 to -3.3 kcal/mol) compared to reference drug sildenafil citrate (-9.6 kcal/mol), except campesterol (-10.0 kcal/mol); also, ergostane (-9.9 kcal/mol). The results of 100 ns simulation (RMSF, RMSD, Rg and H-bond) show extraordinary stability of PDE-5 with campesterol and ergostane, so also complimentary binding energy of MM-PBSA (campesterol -65.92±4.09 kcal/mol; ergostane -57.23±4.70 kcal/mol) indicating their probability of acting promising PDE-5 inhibitors. Therefore, the study revealed that bacterial strain HOKA1 extract showed a better aphrodisiac property, and its bioactive compounds (campesterol and ergostane) should be considered in upcoming rational development and design of more active selective PDE-5 inhibitors, making a treatment for erectile dysfunction.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"137513"},"PeriodicalIF":7.7,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666627","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Deciphering the role of neutral diruthenium complexes in protein binding.","authors":"Giarita Ferraro, Aarón Terán, Francesco Galardo, Rosanna Lucignano, Delia Picone, Lara Massai, Francesca Fasulo, Ana B Muñoz-García, Luigi Messori, Santiago Herrero, Antonello Merlino","doi":"10.1016/j.ijbiomac.2024.137691","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2024.137691","url":null,"abstract":"<p><p>The charge of paddlewheel diruthenium complexes has a major role in defining their interaction with proteins: negatively charged complexes bind proteins non-covalently, while cationic complexes form adducts where the Ru₂ core binds to Asp side chains at the equatorial sites, or to the main chain carbonyl groups or the side chains of His, Arg or Lys residues at the axial sites. Here we study the interactions of the neutral compound [Ru₂(D-p-FPhF)(O₂CCH₃)₂(O₂CO)]·3H₂O (D-p-FPhF^- = N,N'-bis(4-fluorophenyl)formamidinate), a very rare example of a paddlewheel diruthenium compound with three different equatorial ligands, with the model protein bovine pancreatic ribonuclease (RNase A) by means of UV-vis absorption spectroscopy, circular dichroism, electrospray ionization mass spectrometry (ESI-MS) and X-ray crystallography. It is the first attempt to investigate the binding of a neutral diruthenium compound to a protein. ESI-MS data indicate that, in solution, under the investigated experimental conditions, the diruthenium compound binds the protein upon the loss of an acetate ligand. The crystallographic results indicate the replacement of an acetate by two water molecules and the coordination of the [Ru₂(D-p-FPhF)(O₂CCH₃)₂(O₂CO)(OH₂)₂]⁺ ion, that is expected to be a highly reactive species in the absence of the protein, to the imidazole ring of His105 at the axial site. The side chains of Glu9 and His119 are also identified as possible diruthenium binding sites. The binding significantly affects the protein ability to form dimers and higher-order oligomers, without significantly altering its secondary structure content and thermal stability. These data show that: i) Glu side chain has to be considered as a possible alternative binding site for diruthenium compounds, ii) diruthenium containing fragments that would be unstable in solution can be formed upon reaction of diruthenium compounds with a protein, iii) diruthenium compounds could be used as modulators of protein aggregation.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"137691"},"PeriodicalIF":7.7,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142646441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fabrication and evaluation of Zn-EGCG-loaded chitosan scaffolds for bone regeneration: From cellular responses to in vivo performance.","authors":"Yu Yang, Wei Sun, Qiang Fu, Zhongyuan Wang, Hui Zhao, Zaijun Wang, Yuzhong Gao, Jian Wang","doi":"10.1016/j.ijbiomac.2024.137695","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2024.137695","url":null,"abstract":"<p><p>We have synthesized a flavonoid metal complex (FMC) by chelating zinc to epigallocatechin-3-gallate (EGCG), a flavonoid present in green tea and incorporated into chitosan (CS) to form 3D constructs by freeze drying method. Scanning electron microscopy characterized The scaffolds for surface morphology and pore dimensions and depicted the presence of interconnected porous network. The scaffolds exhibited optimal pore size (>50 μm), facilitating bone tissue ingrowth and neovascularization. Inclusion of Zn-EGCG into CS matrix improved the mechanical property by increasing compressive strength (0.53±0.045 MPa) and reducing enzymatic degradation with controlled swelling. In addition, increased protein adsorption was observed during the initial hour, which is crucial for cell attachment. Furthermore, the FMC inclusion promoted exogenous biomineralization of CS scaffolds as early as 4d in simulated body fluid. Indirect cytotoxicity measurements indicated the scaffolds with Zn-EGCG had no toxic effects on mouse mesenchymal stem cells (mMSCs). Under osteogenic environment, the scaffold promoted calcium deposition of mMSCs by upregulation of ALP activity and increased expression of osteoblast differentiation markers such as Runx2, ColI, OC and OPN. We found that the involvement of miR-15b/smurf-1 signalling pathway behind the osteogenic potential of the scaffold. In vivo assessments using the chick embryo CAM assay showed enhanced angiogenesis and confirmed the scaffold's biocompatibility with no toxicity. Additionally, in a zebrafish scale regeneration model, the scaffold enhanced calcium deposition and osteoblast marker expression, aligning with the in vitro findings. Overall, form the study it is clear that the osteogenic potential of the scaffold is as follows chitosan < EGCG-Chitosan < Zn-EGCG-Chitosan.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"137695"},"PeriodicalIF":7.7,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142646373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fluorine-free, superhydrophobic self-healing and UV-blocking cotton fabric for oil/water separation.","authors":"Xiang Feng, Xiaoyuan Zhang, Weixia Yan, Kailong Chen, Xin Guo, Yuanfen Huang, Jinfeng Zhang, Dongzhi Chen","doi":"10.1016/j.ijbiomac.2024.137718","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2024.137718","url":null,"abstract":"<p><p>The discharge of oily wastewater not only pollutes waters but also deteriorates our living environment. Superhydrophobic cotton fabric is considered as an important remedy material for oily wastewater cleanup due to outstanding advantages including low cost, high porosity and switchable wettability. However, the existing superhydrophobic fabrics cannot exhibit durable superhydrophobicity during real-life applications due to poor interaction between the coatings and fabric substrates. To address this issue, one-step strategy is proposed to fabricate superhydrophobic cotton fabric by immersion in a octa-[2-(carboxyl methyl thio) ethyl]-polyhedral oligomeric silsesquioxane/cerium dioxide/polydimethylsiloxane (POSS/CeO₂/PDMS) coating. As expected, the finished cotton fabric exhibits robust superhydrophobic resistance to mechanical abrasion and chemical corrosions. Notably, the finished cotton fabric shows thermal self-healing superhydrophobicity even if undergone repetitive abrasion cycles and air plasma etching. It is proposed that the rising temperature accelerates the rotations of PDMS chains and the migrations of MAPOSS and CeO₂, contributing superhydrophobic self-healing of the damaged cotton fabric. Meanwhile, the superhydrophobic fabric displays high oil/water separation efficiency even in strong acid and alkali environments. Additionally, the POSS/CeO₂/PDMS coating improves mechanical, thermal and UV-blocking properties of the finished cotton fabric. This work will pave a way to exploitation and applications of novel multifunctional textiles.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"137718"},"PeriodicalIF":7.7,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142646377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study on hyaluronic acid aquaphotomics-from one dimension to two dimension analysis.","authors":"Xiaobo Ma, Xueping Guo, Mengyin Tian, Wenshuo Ding, Xiaoying Wei, Daolong Liu, Siling Huang, Lian Li, Hengchang Zang","doi":"10.1016/j.ijbiomac.2024.137723","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2024.137723","url":null,"abstract":"<p><p>Hyaluronic acid (HA) is widely used in cosmetics because of its unique hygroscopic properties. However, it is difficult to characterize the interactions between HA and water molecules in the skin. In this study, we developed a fast and nondestructive method for visualizing skin water species based on aquaphotomics to elucidate the mechanism by which HA affected water species. The first HA-water system was introduced to investigate the relationship between HA and water species based on near-infrared (NIR) spectroscopy and aquaphotomics. NIR-hyperspectral imaging was then applied to characterize the distribution of different water species in the skin. The HA-water system results indicated that oligo HA had hydration behaviors opposite to those of low molecular weight HA. NIR hyperspectral imaging results showed that the intensity and spatial distribution of each water species within the skin model can be directly characterized by upgrading aquaphotomics from one-dimensional to two-dimensional. Studies showed that HA tetrasaccharides and 600-700 k Da HA could maintain the strength of skin water species. In summary, the visual representation of water species distribution enables rapid and nondestructive monitoring of macromolecule hydration with skin which could help cosmetics formulators to optimize their HA formulation to realize their best hygroscopic properties in the future.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"137723"},"PeriodicalIF":7.7,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142646616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Putting forward novel sulfonamide-thiazole-pyrazoline hybrids as potential central core structure for the development of non-specific b-TNAP and c-IAP inhibitors.","authors":"Mian Bilal Haider, Aamer Saeed, Muhammad Azeem, Sayyed Aqib Ullah, Syeda Abida Ejaz, Hafiz Muhammad Attaullah","doi":"10.1016/j.ijbiomac.2024.137699","DOIUrl":"https://doi.org/10.1016/j.ijbiomac.2024.137699","url":null,"abstract":"<p><p>Alkaline phosphatases (ALPs) play crucial role in various functions of human body, such as bone formation, metabolism in liver and intestines, and transfer of nutrients from mother to fetus during pregnancy. However, their overexpression is associated with severe consequences in different patients, such as deposition of minerals in dialysis patients also called coronary calcification and increased bone turnover in patients facing cancer metastization. Due to their involvement in crucial functions of human body and association with such harsh consequences, there is need of newer efficient ALP inhibitors that can tackle ALP excess without derailing the progress of normal functions. In this study, we reported synthesis and biological evaluation of novel series of sulfonamide-thiazole-pyrazoline hybrids (8a-j). The substitutions on the terminal phenyl groups of pyrazoline ring were designed as the basis for the SAR; however, all compounds showed efficient ALP (b-TNAP and c-IAP) inhibition activity, with 8c (IC₅₀ = 0.87±0.11 μM) being the most potent against b-TNAP and 8f (IC₅₀ = 2.11±0.34 μM) being the most potent against c-IAP. In addition, in silico studies were also conducted to provide insights into the binding interactions, drug-likeness and charge density of structures. The IC₅₀ results for all of the compounds were better compared to both references irrespective of the substitutions attached, therefore the sulphonamide-thiazole-pyrazoline hybrid core can be put forward as the central core for designing new drugs for non-specific ALP inhibition.</p>","PeriodicalId":333,"journal":{"name":"International Journal of Biological Macromolecules","volume":" ","pages":"137699"},"PeriodicalIF":7.7,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142646487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}