Results in Chemistry最新文献

{"title":"GC–MS analysis and in silico approaches to Stichopus hermanii as anti-inflammatory through PKC-β inhibition","authors":"Kurnia Fatwati ,&nbsp;Asmawati Amin ,&nbsp;Lenni Indriani ,&nbsp;Rusdina Bte Ladju ,&nbsp;Fuad Husain Akbar ,&nbsp;Nurlindah Hamrun","doi":"10.1016/j.rechem.2025.102086","DOIUrl":"10.1016/j.rechem.2025.102086","url":null,"abstract":"<div><div>Targeting the NF-κB signaling pathway is an interesting approach for anti-inflammatory therapy. Inhibition of the PKC-β pathway has shown to reducing NF-κB activity. In silico studies using molecular docking techniques used to determine the potential</div><div>of Stichopus hermanii as an anti-inflammatory agent are based on PKC-β interactions.The extract was identified via GC–MS to determine the active compound of Stichopus hermanii. The interactions of the active compounds between Stichopus hermanii and the PKC-β receptor were analyzed via PyRx ver.0.8 then visualized via the Biovia v21.1.0.20298 software application. The pharmacokinetic properties were predicted via pkCSM (<span><span>http://biosig.unimelb.edu.au/pkcsm/</span><svg><path></path></svg></span>). Drug likeness property testing is performed by Lipinski's rule of five <span><span>http://www.scfbio-iitd.res.in/software/drugdesign/lipinski.jsp</span><svg><path></path></svg></span>. GC–MS analysis revealed the compounds in Stichopus hermanii extract have benefits as anti-inflammatory agents. Analysis of the pharmacokinetic, toxicity and drug-likeness properties revealed that the <em>Stichopus hermanii</em> content has appropriate activity and is nontoxic compared with Ruboxistaurin. <em>Stichopus hermanii</em> have the potential to be candidates for anti- inflammatory drug development through PKC-β inhibition. These compounds with preeminent potential are <em>1H-Pyrazole, 1,5-dimethyl-; 9-Octadecenoic acid, (E)-; Hexadecanoic acid, methyl ester; 6-Octadecenoic acid</em> and <em>α-Tocopheryl acetate</em>. Through ADMET prediction tests, these compounds exhibited better pharmacokinetics activity and non- toxic.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102086"},"PeriodicalIF":2.5,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143350084","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Removal of minocycline from wastewater via Co/Zn-MOFs -derived porous carbon materials as adsorbents","authors":"Fuhua Wei ,&nbsp;Peng Chen ,&nbsp;Qinhui Ren ,&nbsp;Qin Zhang ,&nbsp;Wei Shang ,&nbsp;Diaodiao Zhang ,&nbsp;Min Li ,&nbsp;Zhao Liang","doi":"10.1016/j.rechem.2025.102094","DOIUrl":"10.1016/j.rechem.2025.102094","url":null,"abstract":"<div><div>The Co/Zn-MOFs material was synthesized successfully via the solvothermal method and then underwent calcination at 900 °C. To investigate its structural properties, multiple characterization techniques were applied, such as scanning electron microscopy (SEM), Fourier-transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), and nitrogen adsorption-desorption isotherms. These analyses aimed to assess the features of the carbon material for its efficacy in minocycline removal. The experimental findings demonstrated that the ideal conditions for maximizing minocycline adsorption on the carbon material obtained from Co/Zn-MOFs comprised a dosage of 20 mg, a solution concentration of 50 ppm, and a pH level of 10. Furthermore, kinetic studies revealed that the pseudo-second-order model accurately represented the experimental data. In conclusion, this research underscores the remarkable adsorption capability of the carbon material derived from Co/Zn-MOFs for minocycline, indicating potential applications in environmental cleanup and presenting an innovative approach for environmental preservation.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102094"},"PeriodicalIF":2.5,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143226195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, theoretical approaches and new framework of pyrazolo[3,4-d]pyrimidine as potent anticancer agents: Efficient synthesis, ADME-T and molecular docking","authors":"Peduri Suresh Reddy ,&nbsp;Thuraka Sekhar ,&nbsp;Pinnu Thriveni ,&nbsp;Gandla Mahesh Kumar ,&nbsp;Allaka Tejeswara Rao ,&nbsp;Mohammad Raish ,&nbsp;Tota Giridhar ,&nbsp;Gudipati Srinivasulu","doi":"10.1016/j.rechem.2025.102093","DOIUrl":"10.1016/j.rechem.2025.102093","url":null,"abstract":"<div><div>Novel 1,3,4-thiadiazole-based pyrazolo[3,4-<em>d</em>]pyrimidine derivatives (<strong>7a–7</strong> <strong>l</strong>) were synthesised in this study, and their structures were ascertained utilizing a range of spectroscopic methods, including HREI-MS, IR, and NMR (¹H/¹³C). They showed especially strong activity (IC₅₀ range 1.56–44 μM). With IC₅₀ values of 2.49 ± 1.9, 1.56 ± 1.3, and 2.97 ± 2.6 μM against Caco-2, HCT116, and A549 cell lines, respectively, compound <strong>7f</strong> demonstrated the strongest anticancer properties among all synthesised compounds when compared to the conventional medication doxorubicin (IC₅₀ = 3.10 to 3.32 μM). Additionally, the anchoring function of the 1,3,4-thiadiazole-substituted pyrazolo[3,4-<em>d</em>]pyrimidine moiety in interacting with anticancer targets and hydrophobic interaction with the essential amino acid residues has been highlighted by molecular modeling studies. The study shows how certain residues from the colorectal cancer mutant (1WCH) interact with each other in a way that is stable. Furthermore, these compounds intriguing therapeutic potential is highlighted by their favorable drug-likeness and ADME-Tox characteristics, which call for more research into possible clinical applications. These compounds are attractive candidates for further investigation in the search for new therapeutic agents due to their diverse actions, which include anticancer qualities.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102093"},"PeriodicalIF":2.5,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143348678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of the preparation of chitosan nanoparticles loaded with bifendate using the Box–Behnken design","authors":"Lifeng Yang,&nbsp;Pinjin Zheng,&nbsp;Zexin Chen","doi":"10.1016/j.rechem.2025.102085","DOIUrl":"10.1016/j.rechem.2025.102085","url":null,"abstract":"<div><div>The aim of this research is to explore new techniques for preparing a cross-linked three-dimensional network nanogel structure (CS-NPS) loaded with bifendate (DDB). The ionic cross-linking method was used to prepare CS-NPS from tripolyphosphate (TPP) and chitosan (CS), and DDB was then encapsulated in the nanogel structure to obtain DDB-CS-NPS. The preparation conditions were optimized through single-variable experiments and the Box–Behnken response surface method to obtain DDB-CS-NPS with good system stability, moderate particle size, and good encapsulation efficiency. It was found that when the TPP concentration was 1.5 mg/ml, the feed ratio was 3.8:1, and the ultrasound treatment time was 10 min and 53 s, the encapsulation efficiency predicted by the Box–Behnken response surface method could reach 89.38 %. A verification test showed that the actual average encapsulation efficiency of the DDB-CS-NPS reached 88.64 %, and the deviation between the predicted and the actual values was −0.8220 %. The average particle size of the samples was 644.8 nm, the polydispersity index was 0.301, and the zeta potential was 6.68 ± 1.29 mV. The results indicate that the proposed preparation process is feasible, the response surface test model can accurately predict the preparation condition area of DDB-CS-NPS, the deviation between the predicted encapsulation efficiency and the actual value is small, and the encapsulation efficiency meets the expected requirements. The DDB-CS-NPS obtained has a moderate particle size, a uniform distribution, and a relatively low potential. However, it may be prone to aggregation or coagulation, and so should be stored in a refrigerated condition.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102085"},"PeriodicalIF":2.5,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143402556","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, characterization and electrochemical studies of psyllium-based conductive copolymers","authors":"Ridhima Khanna ,&nbsp;Lalita Chopra ,&nbsp;Akhil Saxena ,&nbsp;Jasgurpreet Singh Chohan ,&nbsp;Girish Chandra Sharma ,&nbsp;Talib K. Ibrahim ,&nbsp;Manish Gupta ,&nbsp;M. Ijaz Khan","doi":"10.1016/j.rechem.2025.102090","DOIUrl":"10.1016/j.rechem.2025.102090","url":null,"abstract":"<div><div>In the present work, superior, bio-based polymers derived by graft copolymerization and crosslinking of polyaniline (PANI) on psyllium husk (PSH) were reported. Optimum process conditions were evaluated to obtain high-yield polymers by employing a reaction scheme of one variable at a time. Physico-chemical analysis techniques such as High Resolution- Transmission Electron Microscopy, Scanning Emission Microscopy, Fourier Transmission Infrared Spectroscopy, Thermal Gravimetric Analysis, Energy Dispersive X-ray analysis, X-Ray Diffraction analysis, Zeta Potential and swelling studies were employed to understand all the structural, chemical, morphological, thermal changes in PSH after grafting with ANI and crosslinking. The conducting polymers were applied as protective coatings in response to acidic media to the mild steel and the corrosion prevention efficiency of up to 92.77 % in 1 M HCl was reported using the electrochemical impedance spectroscopic method.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102090"},"PeriodicalIF":2.5,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377794","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural study, optical properties, thermal stability, and biological activity of a non-centrosymmetric hybrid compound 3,4-Diaminopyridinium perchlorate (3,4-DAPP)","authors":"Soulayma Mtar ,&nbsp;Sameh Sellami ,&nbsp;Nassira Chniba-Boudjada ,&nbsp;Mohamed Boujelbene","doi":"10.1016/j.rechem.2025.102078","DOIUrl":"10.1016/j.rechem.2025.102078","url":null,"abstract":"<div><div>In this work, a new hybrid compound3,4-diaminopyridinium perchlorate with the formula (C₅H₈N₃)ClO₄ abbreviated 3,4-DAPP was synthesized in aqueous solution by the slow evaporation. It crystallizes in the monoclinic system, with a non-centrosymmetric space group P2₁ with the following parameters: a = 5.1261 (9), b = 9.3003 (17), c = 8.6659 (16) Å and β = 102.595 (7) °. However, the supramolecular structure was built from perchlorate anions (ClO₄)⁻ and diaminopyridinum organic cations (C₅H₈N₃)⁺ connected with hydrogen bonds to form a three-dimensional network. Fourier transform infrared (FTIR) and Raman spectra indicate that the vibrational modes correspond to both inorganic and organic entities. According to Hirschfeld's analysis, the crystal packing is mainly stabilized by the presence of hydrogen bonds O<span><math><mo>⋯</mo></math></span>H (50 %), as well as the crystal void analysis indicates the mechanical stability of the structure. Furthermore, the thermal behavior studied by (TGA-DTA) and differential calorimetry (DSC) appears to have stability up to 280 °C. Additionally, the optical properties were investigated by UV–Vis absorption and photoluminescence spectroscopy, which exhibit emission property, and a band gap energy of 3.9 eV. Finally, biological activity tests revealed that 3,4-DAPP exhibited moderate antibacterial activity, particularly against <em>Bacillus cereus</em>. However, it was less effective than 3,4-diaminopyridine (3,4-DAP) against several other bacteria, indicating that the perchlorate group in 3,4-DAPP may reduce its antimicrobial efficacy.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102078"},"PeriodicalIF":2.5,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143155931","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-pressure hydrothermal synthesis of shape-controlled AuPt nanoflowers with enhanced electro-catalytic properties for methanol oxidation reaction","authors":"Yan Liu ,&nbsp;Ziyi Li ,&nbsp;Zhao Zhang ,&nbsp;Haitao Zhang","doi":"10.1016/j.rechem.2025.102084","DOIUrl":"10.1016/j.rechem.2025.102084","url":null,"abstract":"<div><div>Au<img>Pt nanoflowers (NFs) were successfully synthesized by one-pot high-pressure hydrothermal method. The sizes and morphologies of Au<img>Pt NFs can be flexibly tailored by adjusting the concentration of cetyltrimethylammonium chloride (CTAC), initial pressure, the concentration ratio of precursor and total precursor concentrations. Our results showed that Au<img>Pt NFs prepared using 640 mg CTAC has the characteristics of the largest electrochemical active surface areas (ECSAs), highest CO-tolerance and most excellent methanol oxidation reaction (MOR) catalytic performance because of the maximum Pt utilization. Furthermore, the Au<img>Pt NFs prepared using 640 mg CTAC also exhibited the larger ECSAs and the better MOR catalytic performance than those of Pt nanoparticles (NPs) alone and commercial Pt black. The mass-normalized current densities for MOR in the presence of Au<img>Pt NFs was approximately 3.1 and 5.9 times higher than those of Pt NPs and commercial Pt black, respectively. Therefore, it proves that the method of the size and morphology control synthesized of Au<img>Pt NFs can suitable optimize the design of Pt-based catalysts for direct methanol fuel cells (DMFCs).</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102084"},"PeriodicalIF":2.5,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143348677","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the novel environmentally friendly highly hydrophobic TiO2 coating for enhanced anti-corrosion performance of steel in potential industrial applications","authors":"Haewon Byeon ,&nbsp;J. Sunil","doi":"10.1016/j.rechem.2025.102087","DOIUrl":"10.1016/j.rechem.2025.102087","url":null,"abstract":"<div><div>In this study, the structural and morphological properties and the corrosion resistance of mild steel (MS) plates were enhanced through the development of titanium dioxide (TiO₂) nanoparticles applied using the doctor blade coating method. X-ray diffraction (XRD) analysis, Rietveld refinement, and Fourier-transform infrared spectroscopy (FTIR) confirmed the successful synthesis of TiO₂ nanoparticles. The TiO₂ nanoparticles were bound to hydroxyl and carboxyl functional groups through electrostatic interactions. Field emission scanning electron microscopy (FESEM) images revealed the nanoparticles' minor agglomeration and spherical morphology. Additionally, particle size analysis showed a distribution range between 45 and 50 nm, with an average size of 48.56 nm. Surface wettability analysis demonstrated enhanced aqueous repellence of the MS plates after TiO₂ coating, particularly in NaCl, HCl, and KOH electrolytes. In addition, the TiO₂ nanoparticle coatings exhibited optimized nano-hardness values of 2.79 GPa, 1.51 GPa, and 2.89 GPa after electrochemical analysis, indicating an increase compared to the values measured before the electrochemical studies. The TiO₂-coated MS samples exhibited significantly improved corrosion resistance compared to bare MS samples under 1 M H₂SO₄, 3 M KOH, and 3.5 wt% NaCl electrolytes. Potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) results revealed that the TiO₂ coating achieved the lowest corrosion current density (1.7839 μA/cm²) and the highest protection efficiency (80.24 %) in NaCl electrolyte. Furthermore, EIS analysis indicated that the TiO₂ coating effectively impeded electrolyte penetration to the substrate, thereby providing superior corrosion resistance.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102087"},"PeriodicalIF":2.5,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143155100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Next-generation calcium oxide nanoparticles: A breakthrough in energy storage and humidity sensing","authors":"Asif Khan ,&nbsp;Syed Tasleem Hussain ,&nbsp;Abdul Naeem ,&nbsp;Ayesha Sadiqa ,&nbsp;Awais Ahmad ,&nbsp;Muhammad Aamir Ali Shehzada ,&nbsp;Munirah D. Albaqami","doi":"10.1016/j.rechem.2025.102073","DOIUrl":"10.1016/j.rechem.2025.102073","url":null,"abstract":"<div><div>Chemical precipitation method was applied to synthesize CaO nanoparticles. The synthesized nanoparticles were then characterized by using different analytical methods including X-ray Diffraction, Fourier Transform Infrared spectroscopy, Field Emission Scanning Electron Microscopy, X-ray photoelectron spectroscopy, UV–Visible spectroscopy, thermogravimetric analysis and nitrogen adsorption-desorption analysis. Average crystallite size determined from XRD was found to be 42 nm, whereas average particle size obtained from FESEM images was 163 nm. In the FTIR analysis, the observed bands at 2040 and 873 cm⁻¹, corresponding to Ca-OH and Ca<img>O stretching vibrations, confirmed the successful synthesis of CaO nanoparticles. XPS analysis confirmed that the sample was mainly composed of calcium [25.34 %], and oxygen [63.53 %]. TGA showed two significant weight losses, the former 9.81 % at 390–420 °C due to thermal decomposition of calcium hydroxide to calcium oxide and water and the later 18.98 % at 600–700 °C due to removal of chemical adsorbed water molecules and disintegration of the left over CaCO₃. Electrochemical performance such as supercapacitance and cyclic stability of the prepared sample were evaluated by studying different electrochemical factors like Cyclic Voltammetry, Galvanostatic Charge Discharge and Electrochemical Impedance Spectroscopy. Supercapacitance calculated from CV study was 23.45–72.22 F/g at different scan rates ranging from 2.5 to 100 mV/s, while supercapacitance values obtained from GCD study were 11.77 to 30.18 F.g⁻¹ at various current density ranges from 0.5 to 5 A.g⁻¹. Humidity sensor measurements were performed by determining changes in resistance of the sensing material applying LCR (Q) meter due to changes in humidity levels in a close chamber. Humidity sensing response/recovery times of CaO nanoparticles were noted as 79 s and 147 s. The evaluation of the examined factors concluded that the synthesized CaO nanoparticles can be successfully applied for supercapacitance and humidity sensing.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102073"},"PeriodicalIF":2.5,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143348696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computational antidiabetic assessment of Salvia splendens L. polyphenols: SMOTE, ADME, ProTox, docking, and molecular dynamic studies","authors":"Hatun A. Alomar ,&nbsp;Wafaa M. El Kady ,&nbsp;Asmaa A. Mandour ,&nbsp;Amany A. Naim ,&nbsp;Neveen I. Ghali ,&nbsp;Taghreed A. Ibrahim ,&nbsp;Noha Fathallah","doi":"10.1016/j.rechem.2025.102081","DOIUrl":"10.1016/j.rechem.2025.102081","url":null,"abstract":"<div><div>This study utilizes artificial intelligence and machine learning to enhance drug discovery, focusing on the antidiabetic effects of <em>Salvia splendens</em> leaf extract among the global epidemic of diabetes mellitus. Employing the SMOTE oversampling strategy confirmed that the generated dataset mirrored the activity pattern of the original data. An ADMET analysis of twelve compounds indicated that most complied with Lipinski's rule of five, demonstrating favorable oral bioavailability and safety profiles, except for two compounds, luteolin7-<em>O</em>-(4″,6″-di-<em>O-α-</em>L-rhamno-pyranosyl)-<em>β</em>-D-glucopyranoside and apigenin-7-<em>O-β</em>-D-rutinoside, which exhibited low solubility. Molecular docking studies on <em>α</em>-glucosidase and protein tyrosine phosphatase 1B revealed that compound <strong>4</strong> had the highest binding energy, surpassing that of the standard drug rosiglitazone. Molecular dynamic simulation studies indicated greater stability of docked <em>α</em>-glucosidase compared to tyrosine phosphatase after docking with the promising compounds. Overall, the findings highlight the potential of phenolic compounds from <em>S. splendens</em> as candidates for Type 2 diabetes management.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102081"},"PeriodicalIF":2.5,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143155930","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}