One-pot Research Articles

Green Chemistry and In silico Techniques for Synthesis of Novel Pyranopyrazole and Pyrazolo-pyrano-pyrimidine Derivatives as Promising Antifungal Agents.

Every year Invasive Fungal Infections (IFI) are globally affecting millions of people. Candida albicans and Aspergillus niger have been reported as the most infectious and mortality-inducing fungal strains among all pathogenic fungi. To tackle this problem in the current study Pyranopyrazoles and Pyrazolopyrano- pyrimidine derivatives were developed using molecular hybridization, green chemistry and one-pot multicomponent reaction. In the present work, New Chemical entities (NCE's) were developed on the basis of Structure activity relationship. All designed NCE's were screened for ADMET studies using the QikProp module of Schrodinger software. NCE's with zero violations were further docked on the crystal structure of 14α demethylase, cytochrome P450 and thymidine synthase (PDB ID: 5V5Z, 7SHI, 1BID). Selected molecules were synthesized using green chemistry techniques and evaluated for in vitro antifungal activity against Candida albicans and Aspergillus niger. Designed NCE's (B1-12 and C1-11) showed favorable results in ADMET studies. In the docking study six compounds from series-B and five molecules from series- C showed good dock score and binding interaction when compared with the standard drugs. Compounds B-3 and C-4 showed the highest zone of inhibition activity against Candida albicans, where as B-1 and C-3 had shown highest zone of inhibition activity against Aspergillus niger. Bicyclic ring (series B) showed better activity as compare to fused tricyclic ring (series C).

Phosphatase-mimicking Zr@PDA nanozyme with excellent dispersion stability for the detection of fructose 1,6-diphosphate

Zr4+-doped polydopamine (Zr@PDA) nanozyme with phosphatase-like activity was synthesized by a one-pot hydrothermal method for the first time. Compared with previous representative phosphatase-mimicking nanozymes (i.e., CeO2 NPs, ZrO2 NPs and UiO-66), Zr@PDA not only exhibited higher dispersion stability in water, but also higher catalytical efficiency. Kcat/Km of Zr@PDA is 35 and 12 times that of UiO-66 and ZrO2 NPs, respectively, which would endow the Zr@PDA-based analytical methods with high sensitivity. As a demonstration, a novel colorimetric method based on Zr@PDA nanozyme was developed for sensitive detection of the drug fructose 1,6-diphosphate. The linear range is 1-15 μM with a detection limit as low as 0.38 μM.

Facile one-pot fabrication of multifunctional silver nanoparticles utilizing biowaste for efficient pollutant degradation, heavy metal sensing, and bactericidal activity

Citrus peels constitute around 8-10% of total fruit biomass and are an abundant source of functional organic compounds, however, they are commonly regarded as waste and discarded. This study presents a facile one-pot synthesis method for the fabrication of multifunctional silver nanoparticles using the biowaste as a reducing, capping, and stabilizing agent for the synthesis. The utilization of biowaste not only aligns with sustainable practices but also imparts unique characteristics to the nanoparticles for diverse functionalities. Extensive spectroscopic and microscopic characterization validate the stability of the resulting AgNPs with an average diameter of 40nm. The synthesized nanoparticles exhibit enhanced catalytic activities for complete degradation of toxic nitroaromatic pollutant 4-nitrophenol within 21 min. Additionally, the sensing capabilities of AgNPs render them highly sensitive to heavy metal mercury, offering potential applications in environmental monitoring. Furthermore, the AgNPs demonstrate comprehensive bactericidal properties tested against S. aureus at 0.0625 mg/mL, highlighting their potential in biomedical applications. Moreover, density-functional theory (DFT) studies were performed to compare the reducing and stabilizing characteristics of the main components present in the fruit peel extract, with ferulic acid identified as theoretically the most potent compound. This research introduces a promising avenue for the development of versatile nanoparticles with multifaceted properties utilizing the potential of biowaste to address crucial challenges in environmental remediation.

Development of MnWO4:Ag Nanodilute Magnetic Semiconductors with Tunable Magnetic and Optoelectronic Properties

The bandgap engineered MnWO4 nanoparticles doped with Ag were developed using a facile one-pot synthesis method. The impurity doping concentration of Ag was varied from 1 to 5 weight percentages to tune the interactions between manganese tungstate and silver ions to obtain desirable magnetic and optoelectronic properties. The structural properties of the MnWO4 particles with various concentrations of Ag were investigated using X-ray diffraction. The optical properties of the pristine and Ag-doped MnWO4 particles were determined using UV‒Vis and photoluminescence spectroscopy. The impurity concentration-dependent structural transformations and changes in the vibrational modes, lattice dynamics, electronic transitions and optoelectronic properties of the prepared materials were analyzed using Raman spectroscopy. The topology, morphology and elemental analysis of the synthesized nanoparticles were elucidated using TEM, SEM, SEM and EDX techniques. The magnetic properties of the MnWO4:Ag nanoparticles were measured using a vibrating sample magnetometer (VSM). The obtained results suggested that Ag-doped MnWO4 nanosystems show enhanced and tunable magnetic properties suitable for nanodilute magnetic semiconductor (nDMS) applications. The presented work opens a range of possibilities for the development of advanced materials with applications in optoelctronics, nanomedicine, energy-efficient electronic devices and energy conversion.

Nanostructured Iron (III)-Copper (II) Binary Oxide as a Highly Efficient Magnetically Recoverable Nanocatalyst for Facile One-pot Synthesis of 2, 4, 5-trisubstituted Imidazole and 1, 4-dihydro Pyridine Derivatives under Solvent-free Conditions

Abstract: The Fe (III)-Cu (II) binary oxide magnetic nanocatalyst emerges as an environmentally friendly and highly efficient solid acid catalyst, demonstrating remarkable utility in the one-pot synthesis of 2, 4, 5-trisubstituted imidazole and 1,4-dihydropyridine compounds, all achieved under solvent-free conditions. A facile co-precipitation method was used to synthesize nanostructured Fe-Cu binary oxide. Notably, this Fe-Cu binary oxide magnetic nanocatalyst proves its eco-friendly credentials as an exceptionally efficient and reusable catalyst, offering ease of handling, recovery, and multiple uses with minimal reactivity loss. Furthermore, the Fe (III)-Cu (II) binary oxide magnetic nanocatalyst's magnetic separability enhances its practicality, allowing for effortless catalyst retrieval after reactions. Significantly, the structural characteristics are meticulously elucidated through advanced analytical techniques, including 1H and 13C nuclear magnetic resonance (NMR) spectroscopy. This work presents a versatile and sustainable solution for catalysis, with wide-reaching implications for green chemistry and the development of reusable, efficient catalysts for organic synthesis. The exceptional performance and eco-friendliness of the Fe-Cu binary oxide magnetic nanocatalyst underscore its practical significance. Fe-Cu binary oxide magnetic nanocatalyst exhibits the highest catalytic activity compared to others. The employment of this catalyst consistently delivers excellent yields in the target reactions, highlighting its potential to contribute positively to sustainable chemical processes.

A melanin-like polymer bearing phenylboronic units as a suitable bioplatform for living cell display technology

Surface display of functional groups with specific reactivity around living cells is an emerging, low cost and highly eco-compatible technology that serves multiple applications, ranging from basic biochemical studies to biomedicine, therapeutics and environmental sciences. Conversely to classical methods exploiting hazardous organic synthesis of precursors or monovalent functionalization via genetics, here we perform functional decoration of individual living microalgae using suitable biocoatings based on polydopamine, a melanin-like synthetic polymer. Here we demonstrate the one-pot synthesis of a functional polydopamine bearing phenylboronic units which can decorate the living cell surfaces via a direct ester formation between boronic units and surface glycoproteins. Furthermore, biosorption of fluorescent sugars on functionalized cell membranes is triggered, demonstrating that these organic coatings act as biocompatible soft shells, still functional and reactive after cell engineering.

A feasible strategy for fabricating pH-responsive SN-38 loaded europium metal-organic framework delivery for promising treatment for breast cancer

One of the significant challenges in cancer therapy is the development of biocompatible drug delivery systems (DDS) with enhanced penetration retention effect (EPR) and precision targeting. The current study aimed to establish a one-pot synthesis of 7-ethyl-10-hydroxy camptothecin (SN-38) loaded europium-metal-organic framework (SN-38@Eu-MOF) and evaluate its anticancer potential against breast cancer. High drug loading efficiency (85.3 ± 0.02% in 48h at pH 5.0) and pH-sensitive regulated release of drug SN-38 were two characteristics of the fabricated Eu-MOFs. According to material characterization, the material's surface formed a monodispersed homogeneous rod-shaped structure adorned with SN-38, with an average particle size of 72 ± 0.23nm. Results of anticancer assays demonstrated that when compared to SN-38 alone, SN-38@Eu-MOFs showed improved anticancer potential in breast cancer cells (MCF-7 and MDA-MB-231). According to the mechanism of anticancer potential, SN-38@Eu-MOFs increased reactive oxygen species (ROS) levels and caused mitochondrial malfunction and DNA damage, which resulted in apoptosis. The study's findings indicate that SN-38@Eu-MOFs is a potentially biocompatible nanomaterial for drug delivery systems for treating breast cancer and other pharmaceutical applications.

Synthesis and antifeedant activity of 3H-indole derived oxime esters and oxime ethers against cotton bollworm

The O-acylation or O-alkylation of 3H-indole derived oximes is conveniently synthesized from indoles and the corresponding anhydrides or alcohols mediated by tert-butyl nitrite (TBN) under mild conditions. O-Acyloxime esters are obtained with yields up to 82% using anhydrides via a facile one-pot reaction. Fluorinated O-alkyloxime ethers are achieved with yields up to 38% using fluorinated alcohols through an optimized step-by-step strategy or a 2,2,6,6-tetramethylpiperidinyl-1-oxide (TEMPO)-assisted one-pot strategy. Meanwhile, the better reaction yields, up to 64%, are achieved for nonfluorinated O-alkyloxime ethers. These approaches allow access to a diversity of O-acyloxime esters and fluorinated/nonfluorinated O-alkyloxime ethers, underscoring broad substrate scopes, good functional tolerance and easily gram-scale. All the synthesized compounds were evaluated for their potential antifeedant activity and 5f shows good antifeedant activity against cotton bollworm with a negative logarithmic effective concentration for 50% feeding reduction (pEC50) at 4.217.

Effects of Enteromorpha prolifera sulfated polysaccharide and aluminium ion addition on the multifunctional property of conductive hydrogel for wearable strain sensing

Although introducing Enteromorpha prolifera sulfated polysaccharide (SPEP) enhances the mechanical properties of hydrogels significantly, little is known about the effects of polysaccharide and ion addition on morphological and physicochemical properties of conductive hydrogel. Therefore, the Poly (acrylic acid)/SPEPn/Al3+m (PAA/SPEPn/Al3+m) hydrogels with different SPEP and Al3+ addition were synthesized by simple one-pot method. The porosity, tensile strength, and swelling ration increased, while compressive strength, elongation at break, self-healing, self-adhesion properties increased first and then decreased as SPEP addition increased from 0 % to 3.80 %. The Al3+ addition increased from 0.08 % to 0.30 %, both tensile and compressive strength increased first and then decreased, while elongation at break kept increasing. Unexpectedly, both increasing SPEP and Al3+ addition reduced the electrical conductivity, while SPEP increased the gauge factor of hydrogel. The hydrogel exhibited optimal comprehensive properties when SPEP and Al3+ addition were 2.31 % and 0.24 %, respectively. The PAA/SPEP2.31%/Al3+0.24% hydrogel showed high tensile strength (107.60 kPa), elongation at break (2426.67 %), strain self-healing rate (81.87 %), adhesion strength (21.61 kPa), and conductivity (3.60 S/m). Overall, the properties of PAA/SPEPn/Al3+m hydrogels can be regulated through tailoring SPEP and Al3+ addition, which can be used as on-demand strategy to improve the performance of PAA/SPEPn/Al3+m hydrogels for each application.

High-throughput determination of RNA tertiary contact thermodynamics by quantitative DMS chemical mapping.

Structured RNAs often contain long-range tertiary contacts that are critical to their function. Despite the importance of tertiary contacts, methods to measure their thermodynamics are low throughput or require specialized instruments. Here, we introduce a new quantitative chemical mapping method (qMaPseq) to measure Mg2+-induced formation of tertiary contact thermodynamics in a high-throughput manner using standard biochemistry equipment. With qMaPseq, we measured the ΔG of 98 unique tetraloop/tetraloop receptor (TL/TLR) variants in a one-pot reaction. These results agree well with measurements from specialized instruments (R2=0.64). Furthermore, the DMS reactivity of the TL directly correlates to the stability of the contact (R2=0.68), the first direct evidence that a single DMS reactivity measurement reports on thermodynamics. Combined with structure prediction, DMS reactivity allowed the development of experimentally accurate 3D models of TLR mutants. These results demonstrate that qMaPseq is broadly accessible, high-throughputand directly links DMS reactivity to thermodynamics.

The interaction of light with oxygen-vacancy-rich W18O49 nanoparticles synthesized using different acid molarities for acidic and neutral water treatments

Toxic industrial compounds as a global difficulty can adversely impact people's health and the environment which motivates studies on the interaction of light and metal oxide nanoparticles to treat the water through adsorption or photocatalysis mechanism by nanoparticles. In the paper, oxygen-vacancy-rich W18O49 nanorods are successfully synthesized by a facile one-pot hydrothermal method using different molarities of hydrochloric acid (HCl) (2–12 M) as proposed candidates to treat the wastewater and solve the global difficulty related to treating the acidic water. The results declare that the change in acid molarity leads to noteworthy changes in the characteristic properties of the produced W18O49 nanorods, and the lowest acid molarity (2 M) causes the formation of uniform and pure monoclinic W18O49 nanorods with the high specific surface area (SSA) of 51.33 m2/g. Furthermore, the nanorods exhibit indirect and direct band gap energies in the range of 2.52–2.68 eV and 2.54–3.08 eV, respectively, as influenced by varying acid molarities (2–12 M). Furthermore, the impressive effects of acid molarity on the methylene blue removal efficiency of the nanorods under ultraviolet (UV) light are observed. The highest efficiency is obtained for W18O49 nanorods synthesized using the acid molarity of 2 M which can be explained by its high SSA, small band gap energy, generation of a large number of electron-hole pairs, and its efficient charge separation. The efficiencies of water treatment reach up to 99 % and 99.5 % at pH of 7 and 5, respectively, which is an excellent achievement and leads to proposing the mentioned W18O49 nanorods as an excellent candidate for treating wastewater and acid factory effluent which represents an appreciable breakthrough in addressing the issue.

Activation of Peroxymonosulfate by Co-Ni-Mo Sulfides/CNT for Organic Pollutant Degradation

To explore advanced oxidation catalysts, peroxymonosulfate (PMS) activation by Co-Ni-Mo/carbon nanotube (CNT) composite catalysts was investigated. A compound of NiCo2S4, MoS2, and CNTs was successfully prepared using a simple one-pot hydrothermal method. The results revealed that the activation of PMS by Co-Ni-Mo/CNT yielded an exceptional Rhodamine B decolorization efficiency of 99% within 20 min for the Rhodamine B solution. The degradation rate of Co-Ni-Mo/CNT was 4.5 times higher than that of Ni-Mo/CNT or Co-Mo/CNT, and 1.9 times as much than that of Co-Ni/CNT. Additionally, radical quenching experiments revealed that the principal active groups were 1O2, surface-bound SO4•−, and •OH radicals. Furthermore, the catalyst exhibited low metal ion leaching and favorable stability. Mechanism studies revealed that Mo4+ on the surface of MoS2 participated in the oxidation of PMS and the transformation of Co3+/Co2+ and Ni3+/Ni2+. The synergism between MoS2 and NiCo2S4 reduces the charge transfer resistance between the catalyst and solution interface, thus accelerating the reaction rate. Interconnected structures composed of metal sulfides and CNTs can also enhance the electron transfer process and afford sufficient active reaction sites. Our work provides a further understanding of the design of multi-metal sulfides for wastewater treatment.

One-pot Synthesis of FITC-Doped Mesoporous Silica Nanoparticles: Synthesis, Characterization and Cellular Imaging

This study aimed to develop, evaluate and analyse the potential of mesoporous silica nanoparticles doped with fluorescein isothiocyanate (MSNFITC) as an agent for bioimaging. The synthesis of MSNFITC nanoparticles was achieved by using a CTAB formaldehyde method. Transmission electron microscopy (TEM), Scanning electron microscopy (SEM) and Atomic force microscopy (AFM) were employed to conduct a detailed characterization of the size and morphology of MSNFITC. The efficacy of dye doping was validated via fluorescence and UV absorbance spectroscopy. The produced MSNFITC had a uniform size distribution (65.5 ± 0.825nm) and a spherical shape. Spectroscopic investigations showed distinct peaks at 495 nm (absorbance) and 520 nm (fluorescence emission), indicative of FITC. Biocompatibility experiments on HeLa cells, even exposed to high concentrations (100 μg/mL) of MSNFITC, showed minimal cytotoxicity effects. Furthermore, the effective uptake of nanoparticles by HeLa cells was demonstrated through a strong green fluorescence signal that is distinctive for FITC. Given their advantageous features and biocompatibility with living organisms, the MSNFITC nanoparticles can potentially be highly effective agents for studying cells through bioimaging.

Magnesium(II) Porphyrazine with Thiophenylmethylene Groups-Synthesis, Electrochemical Characterization, UV–Visible Titration with Palladium Ions, and Density Functional Theory Calculations

The presented studies aimed to evaluate the peripheral coordinating properties of a novel porphyrinoid family representative preceded by its synthesis for potential sensing purposes. Two synthetic pathways were employed to a obtain maleonitrile derivative, further used as a starting material in the cyclotetramerization reaction. In the first one, DAMN was used in sequential double-reductive alkylation with 2-thiophene-carboxyaldehyde and sodium borohydride. In the second, DAMN was used in a one-pot reaction with 2-thiophene-carboxyaldehyde in the presence of a 5-ethyl-2-methylpyridine borane complex in methanol and acetic acid. Following the Linstead approach, the cyclization reaction led to a novel symmetrical magnesium(II) octaaminoporphyrazine with methyl(2-thiophenylmethylene) substituents. The macrocycle’s electrochemical properties were assessed by cyclic and differential pulse voltammetries revealing one reduction and two oxidation peak potentials. The additional spectroelectrochemical measurements showed formation of a cationic form of the macrocycle at an applied potential of 0.6 V. The coordinating properties due to the palladium ion of novel porphyrazines were measured with the use of titration combined with UV–vis spectrometry. The titration of Pd2+ revealed the good sensing activity of porphyrazine in the range of 0.1 to 5 palladium molar equivalents. In addition, Pd2+ ions coordination was also assessed by electrochemical studies, indicating the peak potential shift of 0.1 V in the presence of metal cations. DFT calculations showed the good agreement between theoretical and experimental data in the UV–vis and 1H NMR studies.

Synthesis of Indenone-Fused Pyran Derivatives from Aryl Enaminones and Cyclopropenones through Unsymmetrical Relay C-H Bond Activation and Double C-C/C-O Bond Formation.

Presented herein is a novel synthesis of indenone-fused pyran derivatives via the cascade reactions of aryl enaminones with cyclopropenones. The formation of products involves a one-pot cascade procedure consisting of aryl C-H bond and enamine C-H bond functionalization along with C-C bond cleavage of cyclopropenone and 1,3-rearrangement of the in situ-formed allylic alcohol moiety followed by intramolecular O-nucleophilic addition and Me2NH elimination. To our knowledge, this is the first synthesis of indenone-fused pyran derivatives via simultaneous formation of both indenone and pyran scaffolds through concurrent unsymmetrical relay C-H bond activation and double C-C/C-O bond formation. Moreover, the usefulness of this method is further showcased by its suitability for large-scale synthetic scenarios and diverse transformations of products.

One-pot hydrothermal synthesis of transition metal sulfides-decorated CuS microflower-like structures for electrochemical CO2 reduction to CO

Electrochemical CO2 reduction (ECR) to value-added products is regarded as a sustainable strategy to mitigate global warming and energy crisis, and designing highly efficient and robust catalysts is essential. In this work, transition metal sulfides (TMS)-decorated CuS microflower-like structures were prepared via the one-pot hydrothermal synthesis method for ECR to CO, and the influence of TMS doping on ECR performance was demonstrated. Characterization of the catalysts was performed using XRD, FESEM-EDS, N2 physisorption, and XPS, revealing the successful loading of TMS, the formation of microflower-like architectures and the generation of sulfur vacancies. Electrochemical tests demonstrated that doping ZnS, Bi2S3, CdS and MoS2 improved the intrinsic CO2 reduction activity of the CuS catalyst. Particularly, the MoS2-CuS composite catalyst with imperfect petal-like structure showed uniform distribution of edge Mo sites, which worked synergistically with the formed grain boundaries (GBs) and undercoordinated S vacancy sites in promoting CO2 activation, stabilizing *COOH adsorption, facilitating *CO desorption, and lowering the energy barrier of the potential-limiting step for improved CO selectivity. The MoS2-CuS catalyst achieved a maximum CO selectivity of 83.2% at –0.6 V versus the reversible hydrogen electrode (RHE) and a high CO cathodic energetic efficiency of 100%. At this potential, the catalyst maintained stable catalytic activity and CO selectivity during a 333-min electrolysis process. The findings will offer a promising avenue for the development of efficient and stable catalysts for CO production from ECR.

Tandem One-Pot Biocatalytic Oxidation and Wittig Reaction in Water.

We explore biocatalytic aldehyde generation under aqueous conditions, concomitantly delivering access to a one-pot Wittig reaction using stabilized phosphoranes and granting diverse alkene products. Using a recombinant choline oxidase mutant, we first undertake biocatalytic alcohol oxidation across a range of functional aliphatic primary alcohols, demonstrating a remarkable substrate tolerance for this enzyme, including chloride, bromide, azide, S-methyl, and alkynyl groups. Following this, we extend capability and deliver a practicable milligram-scale one-pot Wittig reaction in water.

Biocatalysis enables the scalable conversion of biobased furans into various furfurylamines

Biobased furans have emerged as chemical building blocks for the development of materials because of their diverse scaffolds and as they can be directly prepared from sugars. However, selective, efficient, and cost-effective scalable conversion of biobased furans remains elusive. Here, we report a robust transaminase (TA) from Shimia marina (SMTA) that enables the scalable amination of biobased furanaldehydes with high activity and broad substrate specificity. Crystallographic and mutagenesis analyses provide mechanistic insights and a structural basis for understanding SMTA, which enables a higher substrate conversion. The enzymatic cascade process established in this study allows one-pot synthesis of 2,5-bis(aminomethyl)furan (BAMF) and 5-(aminomethyl)furan-2-carboxylic acid from 5-hydroxymethylfurfural. The biosynthesis of various furfurylamines, including a one-pot cascade reaction for BAMF generation using whole cells, demonstrates their practical application in the pharmaceutical and polymer industries.

Fe3O4@SiO2@NTMPThio-Cu: a sustainable and eco-friendly approach for the synthesis of heterocycle derivatives using a novel dendrimer template nanocatalyst

In this research, Fe3O4@SiO2@NTMPThio-Cu was introduced as a novel and green heterogeneous nanocatalyst with a dendrimer template that is environmentally friendly and reusable based on Fe3O4@SiO2. In this way, magnetic silica nanoparticles were first modified with cyanuric chloride, followed by melamine and thiosemicarbazide, and ultimately, it’s decorated with the cost-effective metal copper. The synthesized nanocatalyst was characterized by various analyses such as FT-IR, XRD, SEM, TGA, and EDX. The efficiency of Fe3O4@SiO2@NTMPThio-Cu was measured in one-pot synthesis of xanthene and spirooxindole-pyran derivatives under mild solvent-free conditions. High efficiency, excellent yield of products, mild reaction conditions, simple operation, no use of toxic organic solvents, and reusability of this catalyst increase the attractiveness of this technique for large-scale environmentally friendly operations.

A Novel One-Pot Three-Component Approach to Orthoaminocarbonitrile Tetrahydronaphthalenes Using Triethylamine (Et_3N) as a Highly Efficient and Homogeneous Catalyst Under Mild Conditions and Investigating Its Anti-cancer Properties Through Molecular Docking Studies and Calculations

An efficient and environmentally friendly method for the one-pot synthesis of ortho-aminocarbonitrile tetrahydronaphthalenes has been developed in the presence of triethylamine (Et3N) as a homogeneous catalyst. The multicomponent reactions of benzaldehydes, cyclohexanone and malononitrile were carried out under mild conditions to obtain some ortho-aminocarbonitrile tetrahydronaphthalene derivatives. A broad range of structurally diverse benzaldehydes were applied successfully, and corresponding products (4A-L) were obtained in good to excellent yields (87-98%) in very short times (10-25 minutes). The present approach provides several advantages including simple workup, high yields, very mild reaction conditions, short reaction times, little catalyst loading and not requiring specialized equipment. Furthermore, with the help of computational chemistry and drug design methods, the anti-cancer properties of these compounds were studied and investigated. All the synthesized compounds bind to an agonist at the active site of the 3A8P protein, which leads to the inactivation of this protein and produces beneficial effects during cancer treatment. In synthesized compounds, the ligands establish hydrogen bonds with leucine A:728 residues through nitrogen, which has a very special and vital role in biological sciences and pharmaceutical connections. In this study, it was found that these compounds have the potential to become an oral anti-cancer drug.