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Synthesis of novel heterocyclic compounds based on dialdehyde cellulose: characterization, antimicrobial, antitumor activity, molecular dynamics simulation and target identification

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Crosslinking reactions of oxidized cellulose fiber. I. Reactions between dialdehyde cellulose and multifunctional amines on lyocell fabric
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ChemInform Abstract: A Convenient and Facile Synthesis of 2‐Arylidene‐4‐phenylbut‐3‐en‐4‐olides by Use of N,N‐Dimethyl(chlorosulfonyl)methaniminium Chloride as a Cyclodehydrating Agent.
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Resource‐Saving Production of Dialdehyde Cellulose: Optimization of the Process at High Pulp Consistency
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UCSF Chimera—A visualization system for exploratory research and analysis
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Ring Transformation of a 2(3 H )‐furanone Derivative into Oxazinone and Pyrimidinone Heterocycles
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Improved syntheses of 5‐substituted‐4‐amino‐3‐mercapto‐(4H)‐1,2,4‐triazoles
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Protein Structure Modeling with MODELLER
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Synthesis and antimicrobial activity of some heterocyclic compounds bearing benzimidazole and pyrazoline motifs
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Molecular dynamics studies of the 3D structure and planar ligand binding of a quadruplex dimer
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Innovative synthesis of modified cellulose derivative as a uranium adsorbent from carbonate solutions of radioactive deposits
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Biomedical Applications of Mycosynthesized Selenium Nanoparticles Using Penicillium expansum ATTC 36200
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Waste and Biomass Valorization
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Eco-Green Conversion of Watermelon Peels to Single Cell Oils Using a Unique Oleaginous Fungus: Lichtheimia corymbifera AH13
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Synthesis and in-vitro antioxidant and antitumor evaluation of novel pyrazole-based heterocycles
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A tetrazolium-based colorimetric MTT assay to quantitate human monocyte mediated cytotoxicity against leukemic cells from cell lines and patients with acute myeloid leukemia
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Sustainable lipid production from oleaginous fungus Syncephalastrum racemosum using synthetic and watermelon peel waste media
inferredcites →https://doi.org/10.1016/j.carbpol.2017.01.052openalex-snapshot
Protein adsorption of dialdehyde cellulose-crosslinked chitosan with high amino group contents
inferredcites →https://doi.org/10.1016/j.carbpol.2019.01.095openalex-snapshot
Ecofriendly green conversion of potato peel wastes to high productivity bacterial cellulose
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Synthesis of cellulose based amino acid functionalized nano-biocomplex: Characterization, antifungal activity, molecular docking and hemocompatibility
inferredcites →https://doi.org/10.1016/j.ijbiomac.2019.04.024openalex-snapshot
Nano-amino acid cellulose derivatives: Eco-synthesis, characterization, and antimicrobial properties
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Green synthesis of bacterial cellulose/bioactive glass nanocomposites: Effect of glass nanoparticles on cellulose yield, biocompatibility and antimicrobial activity
inferredcites →https://doi.org/10.1016/j.ijbiomac.2019.12.133openalex-snapshot
New potential green, bioactive and antimicrobial nanocomposites based on cellulose and amino acid
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Hydroxyethyl cellulose/bacterial cellulose cryogel dopped silver@titanium oxide nanoparticles: Antimicrobial activity and controlled release of Tebuconazole fungicide
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Ecofriendly novel synthesis of tertiary composite based on cellulose and myco-synthesized selenium nanoparticles: Characterization, antibiofilm and biocompatibility
inferredcites →https://doi.org/10.1016/j.jddst.2021.102401openalex-snapshot
Green biosynthesis of silver nanoparticles using novel endophytic Rothia endophytica: Characterization and anticandidal activity
inferredcites →https://doi.org/10.1016/j.jece.2020.103870openalex-snapshot
Immobilization of L-methionine γ-lyase on different cellulosic materials and its potential application in green-selective synthesis of volatile sulfur compounds
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Automatic atom type and bond type perception in molecular mechanical calculations
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Synthesis, characterization and antibacterial activity of novel heterocycle, coumacine, and two of its derivatives
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Checkpoint blockade for cancer therapy: revitalizing a suppressed immune system
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inferredcites →https://doi.org/10.1016/s0065-230x(08)61026-xopenalex-snapshot
Perspectives on Cancer Chemoprevention Research and Drug Development
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Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations
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inferredcites →https://doi.org/10.1021/acssuschemeng.8b03772openalex-snapshot
Ultrastructural Characterization of the Core–Shell Structure of a Wide Range of Periodate-Oxidized Cellulose from Different Native Sources by Solid-State 13C CP-MAS NMR
inferredcites →https://doi.org/10.1021/bm5002944openalex-snapshot
Convenient One-Pot Formation of 2,3-Dialdehyde Cellulose Beads via Periodate Oxidation of Cellulose in Water
inferredcites →https://doi.org/10.1021/cen-09233-scitech1openalex-snapshot
Reflections On ChemDraw
inferredcites →https://doi.org/10.1021/ci100275aopenalex-snapshot
Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1021/ci500161dopenalex-snapshot
OriginPro 9.1: Scientific Data Analysis and Graphing Software—Software Review
inferredcites →https://doi.org/10.1021/ct400341popenalex-snapshot
PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
inferredcites →https://doi.org/10.1021/j100058a043openalex-snapshot
Accurate Calculation of Hydration Free Energies Using Macroscopic Solvent Models
inferredcites →https://doi.org/10.1021/ja01589a089openalex-snapshot
Advances in Cancer Research.
inferredcites →https://doi.org/10.1039/c8ra07060aopenalex-snapshot
Facile synthesis of indole heterocyclic compounds based micellar nano anti-cancer drugs
inferredcites →https://doi.org/10.1063/1.448118openalex-snapshot
Molecular dynamics with coupling to an external bath
inferredcites →https://doi.org/10.1074/jbc.m403319200openalex-snapshot
Structural Basis for the Autoinhibition and STI-571 Inhibition of c-Kit Tyrosine Kinase
inferredcites →https://doi.org/10.1080/00397911.2016.1193755openalex-snapshot
Synthesis and antitumor activity evaluation of some N-heterocycles derived from pyrazolyl-substituted 2(3H)-furanone
inferredcites →https://doi.org/10.1080/01635581.2012.630551openalex-snapshot
Cancer Cell Signaling Pathways Targeted by Spice-Derived Nutraceuticals
inferredcites →https://doi.org/10.1111/lam.13414openalex-snapshot
Fungal endophytes from leaves of Avicennia marina growing in semi‐arid environment as a promising source for bioactive compounds
inferredcites →https://doi.org/10.1145/2625848.2625853openalex-snapshot
Protein Structure Prediction
inferredcites →https://doi.org/10.1517/17460441.2015.1032936openalex-snapshot
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
inferredcites →https://doi.org/10.15376/biores.1.2.270-280openalex-snapshot
Cellulose for medical applications: Past, present, and future
inferredcites →https://doi.org/10.1590/s1517-83822007000200034openalex-snapshot
Screening methods to determine antibacterial activity of natural products
inferredcites →https://doi.org/10.2147/aabc.s70333openalex-snapshot
Molecular dynamics simulations: advances and applications
inferredcites →https://doi.org/10.2147/ijn.s250047openalex-snapshot
The Potential Anticancer Activity of 5-Fluorouracil Loaded in Cellulose Fibers Isolated from Rice Straw
inferredcites →https://doi.org/10.21608/ejchem.2017.3375openalex-snapshot
Syntheses of new antimicrobial cellulose materials based 2-((2-aminoethyl)amino)-4-aryl-6-indolylnicotinonitriles
inferredcites →https://doi.org/10.22207/jpam.12.4.40openalex-snapshot
Morphological Changes of Conidiogenesis in Two Aspergillus Species
inferredcites →https://doi.org/10.3322/caac.21254openalex-snapshot
Cancer statistics, 2015
inferredcites →https://doi.org/10.3389/fchem.2017.00005openalex-snapshot
Peptides with Dual Antimicrobial and Anticancer Activities
inferredcites →https://doi.org/10.3390/jof7030195openalex-snapshot
Bacillus megaterium-Mediated Synthesis of Selenium Nanoparticles and Their Antifungal Activity against Rhizoctonia solani in Faba Bean Plants
inferredcites →https://doi.org/10.3390/molecules20034042openalex-snapshot
Theoretical and Experimental Electrostatic Potential around the m-Nitrophenol Molecule
inferredcites →https://doi.org/10.3390/molecules200916852openalex-snapshot
Heterocyclic Anticancer Compounds: Recent Advances and the Paradigm Shift towards the Use of Nanomedicine’s Tool Box
inferredcites →https://doi.org/10.5772/2652openalex-snapshot
Molecular Dynamics - Studies of Synthetic and Biological Macromolecules
inferredcites →https://doi.org/10.5772/37107openalex-snapshot
MM-GB(PB)SA Calculations of Protein-Ligand Binding Free Energies
inferredcites →https://doi.org/10.9734/jabb/2015/13959openalex-snapshot
Biodegradation and Detoxification of Bisphenol-A by Filamentous Fungi Screened from Nature

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inferred← citeshttps://doi.org/10.1038/s41598-026-39782-zopenalex-snapshot
Cytotoxic activity of marine derived bioactive compounds from red sea sponges supported by LC-MS/MS profiling and molecular docking
inferred← citeshttps://doi.org/10.1038/s41598-026-41120-2openalex-snapshot
New predicted dual CDK-2/CDK-1 inhibitors from Aspergillus unguis isolate SP51-EGY with relative selectivity for colorectal cancer cells: a computational and experimental approach
inferred← citeshttps://doi.org/10.1038/s41598-026-45654-3openalex-snapshot
Synthesis, antioxidant and antimicrobial activities, molecular docking study of new pyrimidine derivatives
inferred← citeshttps://doi.org/10.1039/d3nj05761eopenalex-snapshot
Click synthesis of novel 6-((1 H -1,2,3-triazol-4-yl)methyl)-6 H -indolo[2,3- b ]quinoxalines for in vitro anticancer evaluation and docking studies
inferred← citeshttps://doi.org/10.1039/d3ra03413eopenalex-snapshot
Unveiling anticancer, antimicrobial, and antioxidant activities of novel synthesized bimetallic boron oxide–zinc oxide nanoparticles
inferred← citeshttps://doi.org/10.1039/d4ra04312jopenalex-snapshot
An eco-friendly and cost-effective approach for the synthesis of a novel GA@CuO–ZnO nanocomposite: characterization, antimicrobial and anticancer activities
inferred← citeshttps://doi.org/10.1039/d6ra03908aopenalex-snapshot
Structural design and cytotoxic profiling of a novel 1,3,4-thiadiazole derivative targeting MCF-7 and HCT-116 cell lines: synthesis, cytotoxicity, and in silico study
inferred← citeshttps://doi.org/10.1039/d6ra05392kopenalex-snapshot
Novel bis(benzylidene)-6-methyl-2-thiouracil derivatives: design, synthesis, and molecular docking as potential antimicrobial agents against multidrug-resistant pathogenic bacteria
inferred← citeshttps://doi.org/10.1080/07391102.2023.2293272openalex-snapshot
Acetyl barlerin from Barleria trispinosa induces chemopreventive NQO1 and attenuates LPS-induced inflammation: in vitro and molecular dynamic studies
inferred← citeshttps://doi.org/10.1080/07391102.2024.2308767openalex-snapshot
epi -Magnolin, a tetrahydrofurofuranoid lignan from the oleo-gum resin of Commiphora wightii , as inhibitor of pancreatic cancer cell proliferation, in-vitro and in-silico study
inferred← citeshttps://doi.org/10.1080/10406638.2025.2463382openalex-snapshot
Synthesis of Isatin-Schiff Base and 1,2,3-Triazole Hybrids as Anti-SARS-CoV-2 Agents: DFT, Molecular Docking, and ADMET Studies
inferred← citeshttps://doi.org/10.1080/17415993.2024.2391053openalex-snapshot
Chemical, antimicrobial, antioxidant, and molecular dynamic studies of spiro[chromane-3',2''-thiopyran]-4'-one 1''-oxide and spiro[chromane-3',2''-thiopyran]-4'-one 1'',1''-dioxide
inferred← citeshttps://doi.org/10.1134/s1070363224100190openalex-snapshot
Synthesis, Antioxidant, Antimicrobial, and Molecular Docking Evaluation of Some Newly 2-Thiopyrimidines and Thiopyrans Using 1-Cyclohexyl-3-(4-substituted-phenyl)prop-2-en-1-ones as Precursors
inferred← citeshttps://doi.org/10.1134/s1070428023070126openalex-snapshot
Facile Regioselective Synthesis, Molecular Dynamics Study, and Antioxidant Activity of Some 3′H,4H-Spiro[chromene-3,2′-[1,3,4]thiadiazol]-4-ones
inferred← citeshttps://doi.org/10.1186/s12866-025-03859-yopenalex-snapshot
Effect of gold nanoparticles and γ-cyclodextrin polymer on physicochemical, antimicrobial, and antibiofilm properties of a novel schiff base derived from dialdehyde cellulose and camphor thiazole-imine
inferred← citeshttps://doi.org/10.1186/s12906-023-04210-6openalex-snapshot
Combinative effects of akarkara root-derived metabolites on anti-inflammatory and anti-alzheimer key enzymes: integrating bioassay-guided fractionation, GC-MS analysis, and in silico studies
inferred← citeshttps://doi.org/10.1186/s12906-024-04467-5openalex-snapshot
LC-MS/MS profiling of Tipuana tipu flower, HPLC-DAD quantification of its bioactive components, and interrelationships with antioxidant, and anti-inflammatory activity: in vitro and in silico approaches
inferred← citeshttps://doi.org/10.1186/s13065-023-01035-9openalex-snapshot
Sustainable grafted chitosan-dialdehyde cellulose with high adsorption capacity of heavy metal
inferred← citeshttps://doi.org/10.1186/s43088-023-00445-xopenalex-snapshot
Sterols and flavonoids in strawberry calyx with free radical scavenging, anti-inflammatory, and molecular dynamic study
inferred← citeshttps://doi.org/10.1186/s43094-025-00776-9openalex-snapshot
UPLC-ESI–MS/MS phytochemical profile, in vitro, in vivo, and in silico anti-Alzheimer’s activity assessment of Pithecellobium dulce (Roxb.) Benth. leaves
inferred← citeshttps://doi.org/10.1515/gps-2023-0136openalex-snapshot
Insight into heating method and Mozafari method as green processing techniques for the synthesis of micro- and nano-drug carriers
inferred← citeshttps://doi.org/10.2174/0113852728289430231227042754openalex-snapshot
Anti-inflammatory Activity and Computational Biology Study of Indole/Pyrimidine Hybrids
inferred← citeshttps://doi.org/10.33263/briac131.041openalex-snapshot
A Comprehensive Review of Nanomaterials: Types, Synthesis, Characterization, and Applications
inferred← citeshttps://doi.org/10.3390/cells13161385openalex-snapshot
Anticancer Activity of Benzo[a]phenoxazine Compounds Promoting Lysosomal Dysfunction
inferred← citeshttps://doi.org/10.3390/ijms262210826openalex-snapshot
In Vitro Evaluation of Sugar-Conjugated Thienopyrimidinone Derivatives with Possible Neuroprotective and Antioxidant Effects
inferred← citeshttps://doi.org/10.3390/molecules28093664openalex-snapshot
New Indazol-Pyrimidine-Based Derivatives as Selective Anticancer Agents: Design, Synthesis, and In Silico Studies
inferred← citeshttps://doi.org/10.3390/molecules28155812openalex-snapshot
Antimicrobial, Antibiofilm, and Anticancer Activities of Syzygium aromaticum Essential Oil Nanoemulsion
inferred← citeshttps://doi.org/10.3390/molecules28207025openalex-snapshot
Cytotoxic and Antioxidant Potential of Launaea mucronata Forssk Essential Oil Growing in Northern Saudi Arabia
inferred← citeshttps://doi.org/10.3390/molecules30183773openalex-snapshot
Indazol-Pyrimidine Hybrids: Design, Synthesis, and Antiproliferative Activity Against Human Cancer Cell Lines
inferred← citeshttps://doi.org/10.3390/ph18121857openalex-snapshot
Repurposing of FDA-Approved Antiviral Drugs Against Monkeypox Virus: Comparative In Vitro Screening and Structure Based In Silico Studies
inferred← citeshttps://doi.org/10.3390/pharmaceutics16081038openalex-snapshot
Nano-Liposomal Beetroot Phyto-Pigment in Photodynamic Therapy as a Prospective Green Approach for Cancer Management: In Vitro Evaluation and Molecular Dynamic Simulation
inferred← citeshttps://doi.org/10.3390/plants11212889openalex-snapshot
Antiviral Potentialities of Chemical Characterized Essential Oils of Acacia nilotica Bark and Fruits against Hepatitis A and Herpes Simplex Viruses: In Vitro, In Silico, and Molecular Dynamics Studies
inferred← citeshttps://doi.org/10.3390/pr12061055openalex-snapshot
Novel Hydrazide Hydrazone Derivatives as Antimicrobial Agents: Design, Synthesis, and Molecular Dynamics
inferred← citeshttps://doi.org/10.4314/bcse.v38i4.25openalex-snapshot
Synthesis of new peptide-based macrocycles: Evaluation of their in vitro anti-proliferative activity and molecular dynamic simulation studies
inferred← citeshttps://doi.org/10.6084/m9.figshare.24558091openalex-snapshot
Additional file 1 of Sterols and flavonoids in strawberry calyx with free radical scavenging, anti-inflammatory, and molecular dynamic study
inferred← citeshttps://doi.org/10.6084/m9.figshare.26641801openalex-snapshot
Additional file 1 of Combinative effects of akarkara root-derived metabolites on anti-inflammatory and anti-alzheimer key enzymes: integrating bioassay-guided fractionation, GC-MS analysis, and in silico studies
inferred← citeshttps://doi.org/10.6084/m9.figshare.26713070openalex-snapshot
Additional file 1 of LC-MS/MS profiling of Tipuana tipu flower, HPLC-DAD quantification of its bioactive components, and interrelationships with antioxidant, and anti-inflammatory activity: in vitro and in silico approaches
inferred← citeshttps://doi.org/10.61336/appj/22-1-11openalex-snapshot
Design, Synthesis, in Vitro and Molecular Dynamic Study of Antifungal Activity of the Alcoholic Extract of Sygysium aromaticum in Comparison to Some New Sulphonamide Derivatives
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