Binding Interactions Research Articles

The effect of anions and pH on amino acids binding affinity to hydroxyapatite nanoparticles

ABSTRACT Charged functional groups present on the surface of biomaterials play a crucial role in regulating the affinity and binding of biomolecules, including amino acids. These interactions are pivotal in designing biomaterials with tailored properties for applications ranging from drug delivery systems to tissue engineering constructs. In this study, we investigated the binding affinity of three types of amino acids: phenylalanine (a neutral and nonpolar amino acid), glutamic acid (an acidic and negatively charged amino acid) and lysine (a basic and positively charged amino acid). The influence of Hofmeister anions (i.e. sulfate and bromide ions) to the binding of hydroxyapatite-amino acid nanoparticles is further elucidated. FTIR analysis revealed that the binding affinity of HAP-amino acid nanoparticles exhibited a higher adsorption capacity in ammonium sulfate compared to ammonium bromide due to differences in the dielectric environment. The association constant (K) in ammonium sulfate was calculated to be 8.3 for HAP-Phe, 4.1 for HAP-Glu and 6.1 for HAP- Lys. On the other hand, the association constant values in ammonium bromide were 7.6, 5.9 and 4.1, respectively. The binding interactions of acidic amino acids with hydroxyapatite increased with decreasing pH, while the opposite trend was observed for basic amino acids. The surface structure of the hydroxyapatite nanoparticles was affected by amino acid treatment, introducing porosity into the samples, as evidenced by SEM micro-images. The study demonstrated that the binding affinity of amino acids with different charges onto hydroxyapatite nanoparticles correlates with the surface charges of the biomaterials at different pH values. These findings contribute to the fundamental understanding of biomaterial interactions, with potential inferences for the development of next-generation biocompatible materials.

A Review Discussing Synthesis and Translational Studies of Medicinal Agents Targeting Sphingolipid Pathways

Sphingolipids (SLs) are a class of bioactive lipids characterized by sphingoid bases (SBs) as their backbone structure. These molecules exhibit distinct cellular functions, including cell growth, apoptosis, senescence, migration, and inflammatory responses, by interacting with esterases, amidases, kinases, phosphatases, and membrane receptors. These interactions result in a highly interconnected network of enzymes and pathways, known as the sphingolipidome. Dysregulation within this network is implicated in the onset and progression of cardiovascular diseases, metabolic disorders, neurodegenerative disorders, autoimmune diseases, and various cancers. This review highlights the pharmacologically significant sphingoid-based medicinal agents in preclinical and clinical studies. These include myriocin, fingolimod, fenretinide, safingol, spisulosine (ES-285), jaspine B, D-e-MAPP, B13, and α-galactosylceramide. It covers enantioselective syntheses, drug development efforts, and advances in molecular modeling to facilitate an understanding of the binding interactions of these compounds with their biological targets. This review provides a comprehensive evaluation of chiral pool synthetic strategies, translational studies, and the pharmacological relevance of sphingolipid-based drug candidates, offering a pathway for future research in sphingolipid-based therapeutic development.

Molecular Interactions of Cobimetinib and Vemurafenib with Human Serum Albumin: a Comparative Biophysical and Computational Analysis.

The combined use of BRAF and MEK inhibitors has transformed the management of BRAFV600-mutated melanoma, yet the pharmacokinetic interplay between cobimetinib (COB) and vemurafenib (VEM) remains incompletely understood. Here, we investigated the binding interactions of COB and VEM with human serum albumin (HSA) using a multidisciplinary approach combining fluorescence spectroscopy, isothermal titration calorimetry, circular dichroism, and molecular simulations. Both inhibitors form stable complexes with HSA, predominantly at Sudlow's site II, driven by different interactions pattern. Thermodynamic and kinetic analyses revealed distinct binding behaviors: COB binding is entropy-driven (ΔH = +5.88 ± 0.32 kJ/mol; ΔG = -24.19 kJ/mol), with a dissociation constant (Kd) of 58.2 μM and a residence time of 1.45 s, indicating rapid and dynamic engagement. In contrast, VEM displays a more enthalpy-favored profile (ΔH = -22.05 ± 0.31 kJ/mol), stronger binding affinity (Kd ≈ 4.8 μM), and a longer residence time of 18.5 s. Stoichiometry for both ligands is approximately 1:1, as determined by ITC. Structural analyses revealed subtle conformational alterations in HSA upon ligand binding, while enzymatic assays demonstrated that both COB and VEM competitively inhibit HSA's esterase-like activity. These findings highlight distinct binding kinetics and functional consequences for each drug, offering critical insights into their pharmacokinetic behavior during combination therapy and providing a foundation for optimizing systemic exposure and therapeutic efficacy.

Factor IXa and Factor X Influence Factor VIIIa Stability and Inactivation Mechanisms In Vitro and In Vivo

Factor IXa and Factor X Influence Factor VIIIa Stability and Inactivation Mechanisms In Vitro and In Vivo

Design and Synthesis of 2-Azetidinones as Potent Inhibitors of NPC1L1 Protein to Treat Hyperlipidemia

Ezetimibe, a 2-azetidinone class of compound is clinically employed as an antihyperlipidemic agent and is reported to target NPC1L1 protein in intestine. A series of Schiff’s bases (1Ia-d; 4Ia-d) and their 2-azetidinones (1a-d; 4a-d) were synthesized by microwave irradiation and stirring methods with improved yield in reduced reaction times. Docking studies performed on the newly reported NPC1L1 protein suggested that the 2-azetidinones exhibited good dock scores with favourable binding interactions comparable to Ezetimibe. The anti-hyperlipidemic screening by Triton induced hyperlipidemia model in rats showed that compounds 1b and 4d with hydroxy substituent on aryl ring at C-4 position of 2-azetidinone nucleus exhibited significant lowering of triton induced high levels of TC (41%; 43%) and TG (29%; 32%) with moderate effect on elevation of HDL levels (42% and 52%). Further, compound 1b evaluated in combination with statins, demonstrated significant reduction in TG with increase in HDL levels than when used as monotherapy.

NMR-Guided Studies to Establish the Binding Interaction between a Peptoid and Protein.

Ligand discovery of nonenzymatic proteins can be accomplished through screening methods utilizing libraries comprising small molecules, peptides, and peptidomimetics. Incorporating peptoids, which are oligomers of N-substituted glycine monomers, into high-throughput screens can produce libraries of large structural diversity. Due to their malleable structures, peptoids can occupy unique protein binding sites, but determination of the peptoid binding pose is challenging. For example, the peptoid KDT-11 is reported to bind with low micromolar binding affinity to the proteasome subunit Rpn-13. Poor solubility of initial compound screening hits, like KDT-11, can greatly hinder progress in drug discovery since it limits in vitro characterization. The work reported here overcomes this hurdle with the addition of a solubility tag to KDT11, enabling elucidation of the biologically relevant surface of the peptoid through a variety of structure-activity relationships and biophysical studies. NMR paramagnetic relaxation data guided a structural modeling protocol using multiple molecular dynamics (MD) trajectories and extensive sampling. The final peptoid-protein structure is conformationally stable in equilibrium MD trajectories for >1 μs time period. KDT-11 binds across the β6/β7/β8 strands and α-helix of Rpn-13, revealing an interface for inhibition that could be targeted in future computational drug discovery efforts to obtain more potent ligands for Rpn-13. It is reasonable that the methodology described here can extend to other flexible peptoid or peptide ligands in complexes with proteins.

Multifunctional Phenothiazine-Based Self-Assembled Monolayer as a Hole-Selective Contact for Efficient Wide-Band-Gap Perovskite Solar Cells.

Wide-band-gap (WBG) perovskite solar cells (PSCs) are key components of tandem devices, offering the potential to exceed the Shockley-Queisser limit. Despite their promise, WBG PSCs often suffer from significant open-circuit voltage (Voc) deficits, primarily caused by nonradiative recombination and mismatched interfacial energy alignment. Here, we present a novel multifunctional molecule, [4-(2-cyano-10H-phenothiazin-10-yl)butyl]phosphonic acid (CN-4PAPT), specifically designed to address these challenges. CN-4PAPT functions as a superior hole-transport material with well-aligned energy levels and as a passivating agent to simultaneously reduce interface defects. Additionally, the inclusion of the cyano (-CN) functional group enhances the molecule's dipole and also the binding interactions with both perovskite and transparent conductive oxide substrates, thus contributing to improved device stability. The integration of CN-4PAPT into WBG PSCs (1.67 eV) yields a certified power conversion efficiency of 22.66%. The device retained over 95% of its initial efficiency after 500 h of maximum power point tracking under one-sun illumination.

Innovative Immunoinformatics Tools for Enhancing MHC (Major Histocompatibility Complex) Class I Epitope Prediction in Immunoproteomics.

Immune responses depend on the identification and prediction of peptides that bind to MHC (major histocompatibility complex) class I molecules, especially when it comes to the creation of vaccines, cancer immunotherapy, and autoimmune disorders. The ability to predict and evaluate MHC class immunoproteomics have completely transformed I epitopes in conjunction with immunoinformatics technologies. However, precisely identifying epitopes across various populations and situations is extremely difficult due to the complexity and diversity of MHC class I binding peptides. The most recent developments in immunoinformatics technology that have improved MHC class I epitope prediction are examined in this article. The sensitivity and specificity of epitope prediction have been greatly enhanced by recent developments that have concentrated on bioinformatics algorithms, artificial intelligence, and machine learning models. Potential epitopes are predicted using large-scale peptide-MHC binding data, structural characteristics, and interaction dynamics using tools like NetMHC, IEDB, and MHCflurry. Additionally, the integration of proteomic, transcriptomic, and genomic data has improved prediction accuracy in real-world scenarios by enabling more accurate identification of naturally occurring peptides. Furthermore, newer techniques like deep learning and multi-omics data integration have the potential to overcome peptide binding prediction constraints. Utilizing these technologies is expected to speed up the identification of new epitopes, improve the accuracy of immunotherapy techniques, and enable customized vaccine development. These innovative techniques, their uses, and potential future developments for improving MHC class I epitope prediction in immunoproteomics are highlighted in this study.

Lysine acetylation plays a role in RNA binding protein-regulated alternative pre-mRNA splicing.

Alternative pre-mRNA splicing allows one gene to encode multiple spliced messenger RNAs and, in turn, multiple proteins from a single gene transcript. This process is tightly regulated by cis elements within the pre-mRNA and trans-acting RNA binding proteins that recognize and bind to these elements, thus influencing the spliceosome assembly at adjacent splice sites. Thus, chemical modifications in either the cis-elements or trans factors or both can significantly alter splicing patterns and, thereby, the cellular proteome. Recent studies highlight that many RNA binding proteins (RBPs) are modified at multiple lysine side chains via acetylation, which neutralizes the formal positive charge and disrupts RPBs' ability to participate in RNA recognition, binding and protein-protein interactions. This suggests that lysine acetylation of RPBs may be a novel mode of eukaryotic gene regulation during pre-mRNA processing. To test this, we used the well-characterized polypyrimidine tract binding protein (which is acetylated at several lysine side chains) as a model system to investigate the role of reversible RBP acetylation in regulating alternative-pre mRNA splicing. Using multiple sequence analysis, structure-based electrostatic modeling of RNA-protein interactions, and multi-site glutamine (acetyllysine mimic) and arginine (deacetyllysine mimic) mutants, we show for the first time that for a subset of PTBP1-regulated exons, acetylation at RNA-interacting lysine side chains significantly alters PTBP1 splicing activity.

Investigation of potential KRASG12D inhibitors: a comparative study between MRTX1133 and natural compounds via computational structural biology approaches

ObjectiveThe RAS family, comprising KRAS, NRAS, and HRAS, plays a pivotal role in oncogenesis, dynamically regulating cellular processes through intricate cycling between active and inactive states. Despite recent advancements, direct therapeutic targeting of RAS proteins has proven challenging. Targeting KRASG12D with natural compounds offers a unique therapeutic potential, leveraging the structural diversity and bioactivity of natural compounds. In this study, we investigated the potential of natural products to target oncogenic KRASG12D mutant. Given the higher prevalence of KRASG12D mutations, our study employs structure-based virtual screening and molecular dynamics simulations to identify potential KRASG12D inhibitors within a natural compound library.ResultsTwo natural compounds, NPA019556 and NPA032945, demonstrated strong and stable binding interactions with KRASG12D, surpassing the performance of known inhibitor MRTX1133. After post-molecular dynamics analyses, which encompass Dynamic Cross-Correlation Matrix and Principal Component Analysis, additional evidence suggests that the flexible switch I (residues 30–40) and switch II (residues 58–72) regions demonstrate greater anti-correlation in NPA019556 and NPA032945 compared to MRTX1133 complexed with KRASG12D. These findings highlight the promise of two natural compounds, NPA019556 and NPA032945, as specific KRASG12D inhibitors, paving the way for future and therapeutic development.

Design, Synthesis, Antibacterial and Antioxidant Evaluation of Novel 1,2,3-Triazoline Derivatives Bearing benzo[d]isothiazol-3(2H)-one 1,1-dioxide Moiety.

1,2,3-triazoline-containing compounds were prepared starting from sodium saccharin salt reacted with allyl chloride to form N- allyl saccharin (1), then reacted with aromatic azides to give compound (2a-g) were hydrolyzed under strong basic conditions to form the carboxylic acid derivative (3a-g). The compounds were identified using analytical and spectral methods [Fourier transform infrared (FT-IR) and some of them 1H-NMR, 13C-NMR] shown in the work. The compounds were tested for their biological and antioxidant activity; some compounds were active and others were not. The recently synthesized fourteen compounds produced positive docking results and suitable binding interactions in molecular docking tests on the target 6ul7(Escherichia coli Dihydrofolate Reductase (DHFR) in complex with a novel inhibitor. Function:Dihydrofolate reductase (DHFR) is an essential enzyme in the folate biosynthesis pathway. It catalyzes the reduction of dihydrofolate to tetrahydrofolate, a critical step in the synthesis of nucleotides and DNA. Due to its importance in cell division, DHFR is a prime target for antimicrobial drugs, such as trimethoprim, which inhibit its activity to disrupt bacterial growth). The current findings show that the recently synthesized compounds have promising Escherichia coli inhibitory efficacy.

WDR3 undergoes phase separation to mediate the therapeutic mechanism of Nilotinib against osteosarcoma

BackgroundOsteosarcoma is highly invasive with a poor prognosis. The phenomenon of liquid-liquid phase separation (LLPS) can promote the formation of biomolecules and participate in the tumor regulation mechanism. Therefore, mining prognostic markers related to LLPS could allow patients to benefit from targeted therapies.MethodMicroarray analysis was performed to identify LLPS-related biomarkers, followed by the validation of binding interactions between genes and drugs via molecular docking analysis. Functions of key genes were investigated in U2-OS cells and xenograft mice. LLPS of WDR3 were observed by the droplet formation assay and fluorescence recovery after photobleaching. The intrinsically disordered region (IDR) of WDR3 was mutated to disrupt LLPS, which was then rescued by the fusion of hnRNAP1 IDR. Therapeutic mechanism of Nilotinib mediated by LLPS was explored in vitro and in vivo.ResultsFive LLPS-related biomarkers were screened by bioinformatics analyses to predict the osteosarcoma prognosis. These prognostic genes were significantly associated with the immune cell infiltration, tumor immune escape and drug sensitivity. Among them, WDR3 was a prognostic risk factor for osteosarcoma and stably bound to Nilotinib in the molecular docking model. In transfected U2-OS cells and xenograft mice, the downregulation of WDR3 significantly inhibited the malignant progression of osteosarcoma. More importantly, WDR3 could form droplets in U2-OS cells and restore the fluorescence intensity of WDR3 condensates with liquid-like behavior after photobleaching. The mutation in IDR impaired the phase separation ability of WDR3, whereas the fusion with hnRNAP1 IDR rescued the phase separation abnormality caused by WDR3 mutation. Moreover, the treatment with Nilotinib improved the progression of osteosarcoma in vivo and in vitro, while inhibiting the production of WDR3 phase-separated condensates.ConclusionWDR3 phase separation involves in the therapeutic mechanism of Nilotinib against osteosarcoma, and thus may serve as a potent biomarker to ameliorate adverse events following osteosarcoma treatment.

Novel 1,3,4-oxadiazole-nicotinamide hybrids as non-classical AHL mimics quorum sensing inhibitors of Pseudomonas aeruginosa: design, synthesis and biological evaluation

Pseudomonas aeruginosa employs N-acylated L-homoserine lactones (AHLs) as autoinducers (AIs) for quorum sensing, which in the end is responsible for biofilm and virulence factor production along with the development of antibiotic resistance in bacteria. Here, we designed and synthesized a library of S-alkyl-1,3,4-oxadiazoles bearing nicotinamide moiety targeting AHLs receptors (LasR and RhlR) and evaluated their efficacy as new inhibitors of quorum sensing. The minimum inhibitory concentrations of the synthesized compounds against P. aeruginosa PAO1 were determined, and they ranged from 2.5 to 5 mg/ml. All the compounds were subjected to further investigation against protease and pyocyanin. The oxadiazole derivative 3a was the most potent compound that reduced both protease activity and pyocyanin production by 38.46% and 70.27% respectively. Moreover, compound 3a showed a significant reduction of the biofilm formation by 81.72%. A docking study was performed to explore the potential binding interactions with quorum-sensing receptors (LasR and RhlR), which are responsible for the expression of virulence genes. Molecular docking results indicated that compound 3a showed a comparable binding affinity to the co-crystalized ligands of two P. aeruginosa QS targets (lasR and RhlR) with higher affinity towards LasR than RhIR active sites. Our findings highlight the promising potential of 1,3,4-oxadiazole-nicotinamide hybrid 3a as an anti-virulence agent to combat P. aeruginosa.Graphical

Diversity Oriented Synthesis, Insecticidal Evaluation, and Molecular Docking of Some Insect Growth Regulators Analogs Against Hypera brunneipennis (Boheman).

One of the main forces for the creation of new insecticidal substances is the growing resistance to traditional chemical pesticides. Researchers are looking at novel pesticide categories with safe and distinctive modes of action to address this dilemma. In this study, lufenuron and nine other synthesized IGRs were tested against Hypera brunneipennis, and bioassay data was recorded to evaluate these chemical compounds as insecticidal agents suitable for IPM protocol. The results of bioassay tests indicate that lufenuron has an LC50 value equal to 37.25ppm against the fourth instar of the H. brunneipennis insect; however, compound 8 has the best insecticidal activity, with an LC50 value equal to 32.65ppm, and other synthesized compounds have medium to high toxicological activity. On the other hand, using IGRs against H. brunneipennis is more preferred than other traditional chemical insecticides. This fact is crucial when controlling alfalfa pests because of their minimal toxic impact against nontarget organisms and low toxic residual effect. A variety of binding affinities and interaction profiles are shown by molecular docking studies, with residues like TYR121, SER122, and TYR130 playing a major role in important interactions. The chemicals under investigation exhibit significant bindings to the target protein by forming vast hydrogen bond networks with numerous amino acids.

Paramagnetic Probing of Humic Acid Supramolecular Structure: Iron (III)-Induced Rearrangements Revealed by Solid-State 13C NMR Spectroscopy.

Humic acids (HAs), key components of soil organic matter, undergo significant conformational rearrangements upon complexation with metal ions, yet the molecular-scale dynamics of these interactions remain poorly understood. In this study, solid-state 13C CPMAS NMR spectroscopy was employed to probe Fe (III)-induced structural changes in a soil-derived HA, focusing on cross-polarization time constants (TCH) and proton rotating-frame relaxation times (T₁ρ[H]) as indicators of spatial and dynamic reorganization. Exponential decay analysis of TCH versus Fe/C ratios revealed distinct binding hierarchies: carboxyl groups (187-163 ppm) exhibited the strongest response (decay constant kTCH = 3.5), reflecting Fe (III)-driven local compaction and rigidification, whereas aromatic (163-92 ppm; kTCH = 2.5) and oxygenated aliphatic (92-46 ppm; kTCH = 1.5) domains showed intermediate sensitivity. Aliphatic carbons (46-0 ppm; kTCH ≈ 0.05) remained inert, confirming their exclusion from metal coordination. Complementary T1ρ(H) data highlighted the role of Fe (III) in restricting molecular mobility, particularly in carboxyl and aromatic regions. These findings support a model in which Fe (III) acts as a supramolecular cross-linker, selectively rigidifying HA domains through primary carboxylate binding and secondary aromatic interactions, whereas aliphatic regions retain dynamic freedom. The study demonstrates that paramagnetic Fe (III) not only perturbs NMR detectability but also serves as a structural probe, with TCH and T1ρ(H) providing quantitative metrics for metal-induced reorganization. This work advances the mechanistic understanding of organo-mineral interactions in soils and highlights NMR relaxation parameters as powerful tools for characterizing environmental organic matter.

Cooperative Photoenzymatic Catalysis for Enantioselective Fluoroalkylation/Cyclization Cascade.

Due to the invaluable properties of organofluorine compounds, incorporating a fluorinated unit has become necessary in pharmaceuticals, agrochemicals, and materials. However, achieving asymmetric fluorination such as trifluoromethylation through chemo- or biocatalysis has been a synthetic challenge. Here, we introduce a unique cooperative photoenzymatic catalysis for the enantioselective fluoroalkylation/cyclization cascade. This method, utilizing the engineered flavin-dependent "ene"-reductases (EREDs) and an exogenous photocatalyst (PC), produces a variety of fluorinated cyclic ketones with high yield and enantioselectivity. The discovery of stereocomplementary enzymes that provide access to both enantiomers of the cyclized products further enhances the synthetic applications of our method. The radical-trapping, spectroscopic, and kinetic studies have substantiated the interaction mode between the PC and the enzyme and demonstrated a cascade reaction mechanism involving a unique intermolecular addition of fluorinated radicals and a stereocontrolled intramolecular cyclization. Isotopic labeling experiments support flavin as the source of the hydrogen atom. Molecular dynamics simulations reveal that the binding interaction of the enzyme and the intermediate triggers the photoinduced enantioselective cyclization. This work underscores the potential of enzymes for the asymmetric synthesis of fluorinated compounds.

New heterocyclic benzoxazole-pyrrolidin-2-one derivatives: Synthesis, biological assessment, DFT and docking investigations

New heterocyclic benzoxazole-pyrrolidin-2-one derivatives: Synthesis, biological assessment, DFT and docking investigations

In vitro and in silico evaluation of anti-inflammatory triterpene saponins from Elsholtzia penduliflora W.W. Smith (Lamiaceae)

Elsholtzia penduliflora W.W. Smith (Lamiaceae), a medicinal herb traditionally used in Vietnam, was investigated for its anti-inflammatory potential. Phytochemical analysis of its aerial parts, extracted using 80% ethanol, yielded 15 oleanane-type saponins (1–15) using chromatographic techniques. Among these, penduloside E (4), penduloside C (5), and kajiichigoside F1 (10) were prioritised for bioactivity testing based on structural characteristics and preliminary anti-inflammatory screening. These compounds at a concentration of 3 µM reduced PGE2 production by 48.9–54.3% and downregulated COX-2 mRNA expression by 36.6–42.4% in LPS-stimulated RAW 264.7 cells. Their effects were comparable to dexamethasone, which reduced PGE2 production by 59.8%, reaching 40.2% of the LPS control, and COX-2 mRNA to 33.3%. The compounds demonstrated low cytotoxicity, with cell viability consistently >80%. Molecular docking using AutoDock Vina revealed favourable binding interactions with COX-2 and iNOS enzymes, with compound 5 showing the highest binding affinities (−9.2 kcal/mol for COX-2; −8.7 kcal/mol for iNOS). Structural analysis revealed the triterpenoid backbone with feature functional groups may enhance bioactivity, suggesting structure-activity relationships. These findings suggest that E. penduliflora is a promising source of novel COX-2/iNOS inhibitors, with potential implications for the development of anti-inflammatory therapeutics.

Antitrypanosomal quinazolines targeting lysyl-tRNA synthetase show partial efficacy in a mouse model of acute Chagas disease.

The protozoan parasite Trypanosoma cruzi causes Chagas disease, which is among the deadliest parasitic infections in Latin America. Current therapies are toxic and lack efficacy against the chronic stage of infection; thus, new drugs are urgently needed. Here, we describe a previously unidentified series of quinazoline compounds with potential against Trypanosoma cruzi and the related trypanosomatid parasites Trypanosoma brucei and Leishmania donovani. We demonstrated partial efficacy of a lead quinazoline compound in a mouse model of acute Chagas disease. Mechanism of action studies using several orthogonal approaches showed that this quinazoline compound series targeted the ATP-binding pocket of T. cruzi lysyl-tRNA synthetase 1 (KRS1). A high-resolution crystal structure of KRS1 bound to the drug indicated binding interactions that led to KRS1 inhibition. Our study identified KRS1 as a druggable target for treating T. cruzi infection in a mouse model. This quinazoline series shows potential for treating Chagas disease but will require further development to become a future treatment for this neglected disease.

Exploring the therapeutic potential of benzodioxane carboxylic acid-based hydrazones: Structural, computational, and biological insights

Exploring the therapeutic potential of benzodioxane carboxylic acid-based hydrazones: Structural, computational, and biological insights