A series of substituted 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide derivatives (Va)-(Vm) was evaluated for α-amylase inhibitory activity, where compounds (Vg; IC 50 = 197.5 µg/mL), (Vd; IC 50 = 204.4 µg/mL), and (Vk; IC50 = 207.6 g/mL) demonstrated promising inhibitions compared with the standard acarbose (reported, IC 50 = 66.65 µg/mL). Molecular docking revealed strong binding affinities (-7.4 to -8.7 kcal/mol), with compound (Vg) showing the best affinity profile through hydrophobic, hydrogen-bonding, π-stacking, halogen, and π-cation interactions with key active-site residues, further supported by stable 100 ns molecular dynamics simulation. In-silico ADME studies indicated favorable pharmacokinetic properties, including high gastrointestinal absorption, low TPSA, BBB permeability, and compliance with Lipinskis rule, while toxicity prediction suggested acceptable safety profiles for the synthesized derivatives, highlighting their potential as promising α-amylase inhibitory candidates.

The development of innovative, eco-friendly methods for synthesizing functional nanoparticles is crucial in advancing cancer therapeutics. This study highlights a one-pot in situ synthesis of paclitaxel-functionalized gold nanoparticles (PTX-AuNPs), with paclitaxel serving as both the reducing and stabilizing agent. The synthesis process was validated using UV-visible spectroscopy, X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, and high-resolution transmission electron microscopy (FEG-TEM). High-performance liquid chromatography (HPLC) confirmed the purity and structural integrity of paclitaxel before and after synthesis. The resulting PTX-AuNPs exhibited potent anticancer activity against human cervical cancer (SiHa) and human colon cancer (HT-29) cell lines, with a significantly stronger effect on the HT-29 cell line. A concentration-dependent reduction in HT-29 cell growth was observed as nanoparticle concentrations increased from 10 µg/mL–20 µg/mL. Molecular docking studies further demonstrated paclitaxel’s strong binding affinity (−8.5 kcal/mol) to β-Tubulin, elucidating its anticancer mechanism. This cost-effective and environmentally friendly approach offers significant promise for enhancing cancer treatment strategies.

Objective: A multi-component development method that does not include a catalyst has been developed for the environmentally friendly synthesis of pyranopyrazole derivatives containing a thioether bond. Methods: This method includes non-hazardous solvents and catalysts, conducts a basic workup, and achieves quantitative yields to eliminate contaminants. Furthermore, the antifungal and antibacterial characteristics of all the reported compounds were examined. Results and Discussion: Compounds (Ve) and (Vf) demonstrated superior antifungal activity compared to fluconazole against both C. albicans and S. cerevisiae at a concentration of 40 µg/mL. Conclusions: The findings provide evidence that these active chemicals could be a solid foundation for future research into developing novel antioxidant and antibacterial medications.

As possible delivery systems for anticancer medications and molecular imaging, polymer nanoparticles have tremendous potentials. This study aimed to develop a novel drug delivery system using PTX conjugated β-cyclodextrin inclusion complex-capped gold nanoparticles (PTX-β-CD-AuNPs) to manage triple-negative breast cancer (TNBC). Characterization techniques confirmed the successful synthesis of PTX-β-CD-AuNPs with mean size of around 43 nm. In vitro studies demonstrated enhanced cytotoxicity of PTX-β-CD-AuNPs compared to the individual components, as evidenced by MTT assay results. Furthermore, morphological analysis revealed significant alterations in cancer cell morphology, including cytoskeletal disruption and apoptosis induction. The clonogenic assay demonstrated the ability of PTX-β-CD-AuNPs to suppress colony formation, indicating potential targeting of cancer stem cells. Additionally, migration assays showed reduced cell migratory capacity, suggesting potential anti-metastatic effects. These findings illustrate the efficacy of PTX-β-CD-AuNPs as a promising nanocarrier for treating TNBC. To assess the therapeutic efficacy of PTX-β-CD-AuNPs and clarify the mechanisms behind it, additional study is essential.

The toxicity of drugs to normal cells exhibits a significant risk to human health. Currently, researchers worldwide are striving to develop custom-designed drugs that have reduced toxicity and fewer side effects. Polymeric nanoparticles have drawn interest in being a suitable anticancer drug carrier and molecular visualization. Paclitaxel (PTX) has great potential as an anticancer drug though it suffers from poor aqueous solubility, limiting its therapeutic efficacy. This study investigated a novel β-cyclodextrin (β-CD) inclusion complex for enhanced PTX delivery against triple-negative human breast cancer (aka. MDA-MB-231). Molecular docking simulations indicated the strongest binding between β-CD and PTX compared to α-CD and γ-CD. The 1:2 molar ratio of β-CD to PTX achieved the highest entrapment efficiency (over 95.23

Hydrazide and its Hydrazone derivatives are shown biological activities. Hydrazones converted to heterocyclic compounds shows great importance in medicine. Hydrazide- hydrazones are converted into oxadiazoles using oxidative cyclization. Synthesized 1, 3, 4 oxadiazoles compounds were characterized using spectroscopic techniques. Oxadiazoles derivatives have shown good anti-mycobacterial activity. In silico prediction of compounds carried on online tool ADMET-SAR and chemical admet properties were predicted. These compounds may proposed as an efficient anti-tuberculosis agent in the future.

Objective: The tandem Knoevenagel-cyclocondensation reaction of aromatic aldehydes, malonitrile, and phenylhydrazine in water and ethanol at room temperature is described as an effective, one-pot, threecomponent synthesis of many scientifically relevant heterocyclic compounds. Methods: As a part of our efforts, we have synthesized pyrazole-4-carbonitriles and characterized using various spectroscopic methods and subjected for antimicrobial analysis. Results and Discussion: From our analysis, we observed best in vitro candidate as 5-amino-3-(2,5-difluorophenyl)-1-phenyl-1H-pyrazole-4-carbonitrile. The molecular docking analysis on common bacterial target suggested the involvement of 2,2-dialkylglycine decarboxylase (PDB ID: 1D7U) as a target for compound (IVi) (docking score: –9.32 kcal/mol). Furthermore, a molecular dynamic simulation of 100 ns resulted in the stability of best docked candidate, (IVi): 1D7U. Conclusions: We propose that best docked candidate, (IVi) as potential antimicrobial agents.

In present study, a Co3O4@MWCNT nanocomposites were synthesized using simple chemical reduction method. The impurity investigation of as-synthesized Co3O4@MWCNT composites were carried by using XRD and FTIR. The surface morphology of Co3O4@MWCNT composites shows nanowires-like morphology with different diameter of wires. The structure of these nanowires was also confirmed using TEM. The nanowire-like morphology of the composite was found to play an important role in the catalytic activity of the materials. The catalytic activity of the Co3O4@MWCNT composite was evaluated with the adsorption of coracryl yellow dye and the reduction of 4-nitrophenol. It was revealed that the targeted 10% Co3O4@MWCNT composite had an excellent efficiency of catalytic adsorption of coaryl dye within 4 min and complete reduction of 4-nitrophenol within 7 min. It is thus suggested that the increased catalytic activity may be attributed to the nanowire-like morphology, crystallinity, and interface structure of the Co3O4@MWCNT composite.

Background: The human respiratory syncytial virus (RSV) is responsible for causing upper and lower respiratory tract infections in young children. RSV Fusion (F) protein is a surface glycoprotein that facilitates virus entry into host cells. Thus, newer designing of RSV Fusion (F) protein inhibitors is required on an urgent basis. Methods: In the present study, we have developed statistically robust. Quantitative structure-activity relationship (QSAR) models for the effective designing of newer analogues of piperazinylquinoline derivatives (H1-H12). Results: Our developed models were retained with high statistical parameters (R2 > 0.6 and Q2 > 0.5). Our developed pharmacophore, model (AADHRR_2) (indicating that two hydrogen bond acceptors, one hydrogen bond donor, one hydrophobic group, and two aromatic rings) is crucial for retaining the activities of piperazinylquinoline derivatives against RSV. Moreover, docking analysis of 12 new analogues on RSV pre-F in complex with 5C4 Fab (PDB ID: 5W23) and post-F trimeric protein (PDB ID: 3RRR) suggested higher affinities of these molecules against studied targets with good docking scores. Conclusion: Thus, one can implement developed QSAR models, docking analogy and Pharmacophore models for identifications of potent leads for designed molecules as RSV Fusion (F) protein inhibitors.

Metal(II) complexes, derived from the ligand 4-chloro-N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide (HCBHDCS), were synthesized. These included elemental analyses, IR, UV-VIS, 1H and 13C NMR, ESR and mass spectroscopy, and magnetic susceptibilities and conductivities measurements. The Fe(II), Mn(II), Cu(II), Co(II), and Mn(II) complexes exhibit a high spin octahedral geometry, Pd(II) is square planar, and Cd(II), Hg(II) and Zn(II) are tetrahedral in nature. The electron spin resonance (ESR) spectrum observed in solid copper(II) complex exhibits distinct characteristics indicative of their specific configurations. This complex possesses a ground state with an axial symmetry type. The obtained values substantiated distorted octahedral geometry, indicating a significant ionic or covalent environment. Values for molar conductance in DMF show complexes' non-electrolytic behavior. To determine their crystal structures, X-ray powder diffraction is used. Antimicrobial activity has been tested in the metal complexes and Schiff's base HCBHDCS ligand. In comparison to regular streptomycin, each combination and ligand has greater antibacterial activity against the bacteria E. Coli. At the same time, C. albicans (MCC 1439) and S. cerevisiae (MCC 1033) show good antifungal efficacy, with growth reduced by more than 90% in response to Mn(II) and Fe(II) complexes, respectively. The in-vitro cytotoxic effects of these synthesized ligands and their complexes were also investigated using the brine shrimp bioassay.

Background Hydrazide-hydrazone derivatives have shown diverse biological activities, such as antitubercular (anti-TB), antibacterial, antifungal, anticancer, anti-inflammatory, antiviral, and antiprotozoal actions. Objectives Hydrazide-hydrazones contain azomethine (-NH-N=CH-) group connected with carbonyl group and are believed to be responsible for various pharmaceutical applications. They aid in the synthesis of different five-membered heterocyclic systems, such as oxadiazole, triazoles, etc. Methods In the present study, various hydrazines/hydrazones were synthesized starting from 4-amino benzoic acid derivatives. Structures of all 9 newly synthesized compounds (6a-6d and 8a-8e) were further characterized by using various spectroscopic methods, such as H-1-NMR (Nuclear Magnetic Resonance), FT-IR (Fourier-transform infrared spectroscopy), Gas chromatography-mass spectrometry (GC-MS), etc. Furthermore, molecular docking analysis against the acyl-CoA carboxylase, AccD5 (PDB ID: 2A7S), was also carried out using the Glide module, which depicted good binding scores than standard drugs. The anti-tuberculosis activity of all the hydrazides and hydrazones (6a-6d and 8a-8e) were evaluated against the Mycobacterium tuberculosis H37 RV strain using the Alamar-Blue susceptibility (MABA) test. The activity was expressed as the minimum inhibitory concentration (MIC) in & mu;g/mL values. The antioxidant activity was also carried out using a DPPH assay. Results Our findings demonstrated highly encouraging in-vitro results (MABA assay, MIC: 1.2 & mu;g/mL) of hydrazones as depicted by good antimycobacterial activity. The antioxidant results showed a moderate to a good percentage of DPPH inhibition. Our in-silico ADMET analysis further suggested good pharmacokinetic and toxicity-free profiles of synthesized analogues (6a-6d and 8a-8e). Conclusion Our results signify hydrazones/hydrazines as potential hit candidates against the future developments of potent and safer anti-TB agents.

Increasing rates of multi-drug resistant (MDR) and extremely-drug resistant (XDR) cases of tuberculosis (TB) strains are alarming, and eventually hampered an effective control of the pathogenic disease. In the present study, nine derivatives of 2,3-bis(2-oxochromen-3-yl)-1,4-diphenyl-butane-1,4-dione (11a–c) and 3,4-(dicoumarin-3-yl)-2,5-diphenyl furans and pyrroles (12a–f) have been synthesized successfully. The experimental data for the anti-tuberculosis activity (using MABA assay) of 2,3-bis(2-oxochromen-3-yl)-1,4-diphenyl-butane-1,4-dione (11a–c) revealed that, in this series, compound 11a showed a better minimum inhibitory concentration of 1.6 μg/mL against Mycobacterium tuberculosis (H37 RV strain) ATCC No-27294, which was better than the MIC value of Pyrazinamide-3.125 μg/mL, Streptomycin-6.25 μg/mL and Ciprofloxacin-3.125 μg/mL. Our synthesis and in-vitro studies thus pointed out the moderate to good anti-TB profiles of substituted furans and pyrroles.

BACKGROUND Hydrazide-hydrazone based compounds are reported for their wider pharmacological potentials. METHODS In present work, we synthesized 10 new Schiff based-aryl-carbohydrazide (3a-3e) and (4a-4e), analogues and characterized further using standard spectroscopic techniques including NMR, mass and FT-IR. Moreover, all synthesized compounds were subjected for in-vitro anti-TB, anti-microbial, antioxidant and anti-MCF-7 cell line studies. RESULTS Our results suggested that compounds are having strong potencies against studied microbial species (such as 3a, 3b and 3c, (anti-TB activity: MIC value of 1.6 µg/mL; 3c:80.23 % inhibition at 200 µg/mL against MCF-7). Synthesized compounds (3a-3e) and (4a-4e) were also retained with higher docking scores than standards like ciprofloxacin; when studied for their molecular docking analysis against common anti-bacterial (pdb id:1d7u; 3a: -4.909 kcal/mol), common anti-fungal (pdb id:1ai9; 3b: -6.122 kcal/mol) and enoyl acyl reductase enzyme (pdb id:2x22; 3c: docking score: -4.194 kcal/mol)) targets. CONCLUSION Thus, considering promising results for Schiff based-aryl-carbohydrazides, these compounds may emerge as new class for the development of potent anti-microbial agents in near future.

This review presented the unique characteristics of different types of cyclodextrin polymers by non-covalent host–guest interactions to synthesize an inclusion complex. Various cancers are treated with different types of modified cyclodextrins, along with the anticancer drug paclitaxel. PTX acts as a mitotic inhibitor, but due to its low dissolution and permeability in aqueous solutions, it causes considerable challenges for drug delivery system (DDS) designs. To enhance the solubility, it is reformulated with derivatives of cyclodextrins using freeze-drying and co-solvent lyophilization methods. The present supramolecular assemblies involve cyclodextrin as a key mediator, which is encapsulated with paclitaxel and their controlled release at the targeted area is highlighted using different DDS. In addition, the application of cyclodextrins in cancer treatment, which reduces the off-target effects, is briefly demonstrated using various types of cancer cell lines. A new nano-formulation of PTX is used to improve the antitumor activity compared to normal PTX DDS in lungs and breast cancer is well defined in the present review.

Nanocomposites are comprised of enormous variation of system, such as 1-D, 2-D, 3-D and amorphous material, made up of particularly different components and mixed at nanometre scales.Nanocomposites are high performance material exhibits rare and unique properties, which are due to quantum confinement, surface Plasmon reaction, tunnelling of electrons and density of states.Nanocomposites containing two or more dissimilar band gaps semiconductors provide special properties to photocatalyst.CuO:CdO nanocomposite synthesized by simple, chemical, coprecipitation method.XRD technique used to characterize the prepared nanocomposite.The XRD spectra confirms the characteristics vibration of Cu-O and Cd-O.The crystallite particle size calculated by Debye Scherer formula is confirming the particle is nanoparticle.The photocatalytic efficiency of CuO:CdO nanocomposites was assessed using methylene blue dye in the presence of sun light.Variation in the concentration of Cu with respect to Cd in the nanocomposites affect the photodegradation efficiency in this investigation.Our results here indicate that the ability for dye removal from wastewaters can be change by changing the composition of nanocomposite catalyst.

Background:Tuberculosis (TB) continues to be the most threatening cause of death in recent years. There is urgent need of search more potent, less toxic antitubercular agents.Methods:A set of five new 1,3,4-oxadiazolyl-imidazo-1,2-pyridine derivatives (4a-4e) was synthesized and screened invitro for their antibacterial activity against Mycobacterium tuberculosis (H37 RV strain) ATCC No-27294.Results:Compound 4b displayed potent antitubercular activity at MIC 6.25 µg/mL. In-silico molecular docking studies were performed for evaluation of the binding patterns of compounds 4a-4e in the binding site of proteins like, Pantothenate synthatase and enoyl acyl reductase inhibitor. The outcomes of the in- vitro antitubercular studies were in well agreement with the molecular docking studies. These newly synthesized compounds were found to have good ADMET profile. We also explored possible anticancer activity using in-silico methods.Conclusion:These results shows that readily synthesized 1,3,4-oxadiazolyl-imidazo-1,2-pyridine derivatives (4a-4e) are attracting new class of potent anti-TB targets as well as possible anticancer activity that worth additional opportunities for improvements.

BACKGROUND:For the past several decades, the presence of tuberculosis (TB) is being remarked as the most common infectious disease leading to mortality.OBJECTIVE:Hydrazone containing azometine group (-NHN=CH-) compounds have been reported for a broad range of bioactivities such as antiplatelet, analgesic, anti-inflammatory, anticonvulsant, antidepressant, antimalarial, vasodilator, antiviral, and antimicrobial, etc. Methods: For the synthesis of compounds (4a-4d) and (6a-6e), aromatic amines were treated with methyl terephthalaldehydate in methanol, giving Schiff's bases, followed by reductive amination and further treatment with hydrazine hydrate gave acid hydrazides (4a-4d). These acid hydrazides were then treated with different aromatic aldehydes to yield hydrazones (6a-6d). All the synthesized compounds were subjected to FT-IR, NMR, and UV spectroscopic characterization.RESULTS:Compounds (4a-4d) and (6a-6e) were found to have highly potent activity against Mycobacteria tuberculosis (Vaccine strain, H37 RV strains): ATCC No- 27294 (MIC:1.6-6.25 μg/mL) than standard anti-TB drugs. The compounds exhibited good radical scavenging potentials(0- 69.2%), as checked from DPPH protocol. All compounds also demonstrated good in-silico ADMET results.CONCLUSION:The current study revealed promising in vitro anti-tuberculosis and anti-oxidant profiles of hydrazide-hydrazone analogues.

Background: Since the last few decades, the healthcare sector is facing the problem of the development of multidrug-resistant (MDR-TB) and extensively drug-resistant tuberculosis (XDR-TB) infections all over the world. Regardless of the current healthcare progress for the treatment of mycobacterial infections, we are still unable to control addition of every year 9 million new cases of tuberculosis (TB). Objective: We had an objective to synthesize some novel hydrazones, which were further subjected to characterization, Photoluminescence study, in vitro anti-mycobacterium testing and in silico ADMET predictions. Methods: Some new hydrazone derivatives have been successfully prepared by the condensation reaction in the present study. All the compounds were characterized by using FTIR, NMR, UV, Fluorescence spectroscopic techniques. Results: All our newly synthesized compounds showed strong electronic excitation at 292.6 – 319.0 nm and displayed more intense emissions in the 348 – 365 nm regions except compound 3i. The newly synthesized hydrazones 3a, 3b, 3f and 3g were found to be the most active compounds and showed MIC (Minimum inhibitory concentrations) values of 12.5 μg/mL. Conclusion: In the realm of development of more potent, effective, safer and less toxic antituberculosis agents; our current study would definitely help the medicinal chemists to develop potent analogues containing hydrazine motifs in them.

Background: Antimicrobial resistance is a major global health problem, which is being rapidly deteriorating the quality of human health. Series of substituted N-(benzo[d]thiazol-2-yl)-2- (4-(6-fluorobenzo[d]isoxazol-3-yl) piperidin-1-yl)acetamide (3a-j) were synthesized from substituted N-(benzo[d]thiazol-2-yl)-2-chloroacetamide/bromopropanamide (2a-j) and 6-fluoro-3- (piperidin-4-yl)benzo[d]isoxazole (2) and further evaluated for their docking properties and antimicrobial activity. Methods: All the synthesized compounds were characterized by FT-IR, NMR and Mass spectral analysis. All compounds were allowed to dock against different antimicrobial targets having PDB ID: 1D7U and against common antifungal target having PDB ID: 1EA1. Results: The compounds 3d and 3h showed good activity against Methicillin-resistant Staphylococcus aureus (MRSA, resistance Gram-positive bacteria). All synthesized compounds showed good to moderate activity against selected bacterial and fungal microbial strains. If we compared the actual in-vitro antimicrobial activity and in silico molecular docking study, we found that molecules 3i and 3h were more potent than the others. Conclusion: Our current study would definitely pave the new way of designing and synthesis of more potent 2-aminobenzothiazoles derivatives.