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In addition to the physical barrier, the epidermis acts as a natural barrier against microbial proliferation. It is prone to bacterial infections on the skin and in the nose, such as Staphylococcus aureus, as well as a variety of other skin illnesses. Green nanomaterial production, which eliminates the use of harmful chemicals while simultaneously reducing time, is gaining popularity in the nanotechnology area. Using the leaf extract of the pharmacologically valuable plant Moringa oleifera, we described a green synthesis of ZnO NPs (zinc oxide nanoparticles). ZnO NPs had a particle size of 201.6 nm and a zeta potential of -56.80 mV, respectively. A novel aminoketone antibacterial medication was synthesized and tested for antibacterial activity using ZnO NPs as a phytocatalyst in this work. This method produces high yields while maintaining efficient and gentle reaction conditions. Moringa oleifera extract can reduce ZnO to ZnO NPs in a straightforward manner. FT-IR, 1H-NMR, 13C-NMR, mass spectra, elemental analysis, and morphological analysis were used to synthesize and describe the antibacterial medicines (1a-1g) and (2a-2g). In addition, antibacterial activity was evaluated against bacteria such as Enterococcus faecalis and Staphylococcus aureus, and compound 1c (63 μg/mL, E. faecalis) and compound 2e (0.12 μg/mL, S. aureus) were found to be very active when compared to other medications. mupirocin is used as a reference. In addition, studies of in silico molecular docking for the bacterial DsbA protein were conducted. The strong molecules 1c (-4.3 kcal/mol) and 2e (-5.1 kcal/mol) exhibit a high binding affinity through hydrogen bonding, according to docking tests.

The goal of this research is to create a novel Schiff base of chitosan polymer derivatives 1a-1j. Nanotechnology is a promising field since it avoids the usage of hazardous chemicals while also saving time. Using the leaf extract of the pharmacologically valuable herb Mentha piperita, we described a green synthesis of ZnO NPs. Zinc oxide ions may be easily reduced into ZnO NPs using a Mentha piperita extract. ZnO NPs were employed as a phytocatalyst in this investigation to make chitosan derivatives. The synthetic procedure is straightforward, with a short reaction time and a high yield. Our newly synthesized compounds have been characterized by FTIR and nuclear magnetic resonance spectroscopy (1H NMR and 13C NMR), and morphology analysis was observed by XRD, SEM, and TEM. In addition, the antibacterial activity was also evaluated against gram-positive bacteria and gram-negative bacteria. Compound 1b is extremely active against gram-negative bacteria (4.0 μg/mL, E. coli), and compound 1h is highly active against gram-positive bacteria (6.0 μg/mL, S. aureus) compared with standard erythromycin and other chitosan derivatives. As a result, compounds 1b and 1h could be a high crucial molecule in the development of antibacterial drugs.

Ashraf Atef Hatamleh,1 Dunia Al Farraj,1 Sarah Salah Al-Saif,1 SathishKumar Chidambaram,2 Surendrakumar Radhakrishnan,2 Idhayadhulla Akbar2 1Botany and Microbiology Department, College of Science, King Saud University, Riyadh, Kingdom of Saudi Arabia; 2Research Department of Chemistry, Nehru Memorial College (Affiliated with the Bharathidasan University), Puthanampatti, Tiruchirappalli District, Tamil Nadu, South IndiaCorrespondence: Idhayadhulla Akbar Email a.idhayadhulla@gmail.comPurpose: A new series of tetrazole derivatives, which are renowned antimicrobials possessing a five-membered aromatic heterocyclic group, are synthesized herein and subjected to antimicrobial and cytotoxicity screening.Methods: The tetrazole derivatives were synthesized via ultrasonication using Mannich base condensation. Structural verification of the products was performed using IR, 1H NMR, and 13C NMR spectroscopy, as well as mass spectroscopic and elemental analyses. The compounds were then screened for antimicrobial and cytotoxic activity against HepG2 (liver), MCF-7 (breast), and HeLa (cervical) cell lines. Inter- and intra-molecular binding interactions were determined using molecular docking studies. The exact binding mode between the most active tetrazole derivatives (ie, 1b, 2a, and 2b) and the proteins (ie, 4OR7, 1AI9, and 4FM9) was established using Autodock Vina 1.1.2 software and compared to the binding mode of the reference compounds (ie, cefazolin, clotrimazole, and fluorouracil).Results: Compound 1b was extremely active against Enterococcus faecalis relative to the positive control cefazolin. Compounds 1b and 1e were active against Candida albicans and Microsporum audouinii compared to the positive control clotrimazole in antifungal screening. The HepG2 (liver) and MCF-7 (breast) cancer cell lines were particularly susceptible to the synthesized compounds. Compared to the control compound fluorouracil, 2a and 2b were extremely active against all three cancer cell lines. Molecular docking studies showed that 2b exhibited higher binding affinity (− 7.8 kcal/mol) to the 4OR7 protein than the control cefazolin (− 7.2 kcal/mol).Conclusion: Generally, 1b, 2a, and 2b exhibited impressive inhibitory capabilities in antibacterial, antifungal, and cytotoxic screenings relative to the reference compounds. The results of the molecular docking studies and both the microbial and anticancer screenings indicate that these novel derivatives could be developed into potential therapeutic agents for medical applications.Keywords: antibacterial, antifungal, cytotoxic, molecular docking, N-Mannich base, ultrasonication

The synthesis of biologically active 1,4-dihyripyridine derivatives using a Calotropis gigantea leaf powder and ZnO NPs used as catalyst under solvent-free conditions at room temperature via grinding method has been established in a single-stage, mild, and environmentally friendly green process. The procedure is fast and effective and produces high yields. Three cancer cell lines were used to assess the cytotoxic activity of 1,4-dihyropyridine derivatives. The cytotoxicity of 1,4-dihyropyridine compound 1f (HepG2, LC50-0.50 μM, MCF-7, LC50-0.64 μM, and HeLa, LC50-0.52 μM) was found to be highly active. The synthesized derivatives demonstrated their safety by causing substantially less cytotoxicity in normal cell lines HEK-293, LO2, and MRC5 with IC 50 > 100 g/mL. As a result, compound 1f could serve as a high-impact molecule for the production of anticancer drugs in the future.

The pyrrolidine-2,4-dione derivatives were used to conduct a larvicidal test on

In addition to the physical barrier, the epidermis acts as a natural barrier against microbial proliferation. It is prone to bacterial infections on the skin and in the nose, such as Staphylococcus aureus, as well as a variety of other skin illnesses. Green nanomaterial production, which eliminates the use of harmful chemicals while simultaneously reducing time, is gaining popularity in the nanotechnology area. Using the leaf extract of the pharmacologically valuable plant Moringa oleifera, we described a green synthesis of ZnO NPs (zinc oxide nanoparticles). ZnO NPs had a particle size of 201.6 nm and a zeta potential of -56.80 mV, respectively. A novel aminoketone antibacterial medication was synthesized and tested for antibacterial activity using ZnO NPs as a phytocatalyst in this work. This method produces high yields while maintaining efficient and gentle reaction conditions. Moringa oleifera extract can reduce ZnO to ZnO NPs in a straightforward manner. FT-IR

A series of benzopyran-connected pyrimidine (1a–g) and benzopyran-connected pyrazole (2a–i) derivatives were synthesized via Biginelli reaction using a green chemistry approach. Cu(II)-tyrosinase was used as a catalyst in the synthesis of compounds 1a–g and 2a–i via the Biginelli reaction. The as-synthesized compounds were characterized by IR, 1H NMR, 13C NMR, mass spectroscopy, and elemental analysis. The as-synthesized compounds were screened for larvicidal and antifeedant activities. The larvicidal activity was evaluated using the mosquito species Culex quinquefasciatus, and the antifeedant activity was evaluated using the fishes of Oreochromis mossambicus. The compounds 2a–i demonstrated lethal effects, killing 50% of second instar mosquito larvae when their LD50 values were 44.17, 34.96, 45.29, 45.28, 75.96, and 28.99 μg mL−1, respectively. Molecular docking studies were used for analysis based on the binding ability of an odorant binding protein (OBP) of Culex quinquefasciatus with compound 2h (binding energy = −6.12 kcal mol−1) and compound 1g (binding energy = −5.79 kcal mol−1). Therefore, the proposed target compounds were synthesized via a green method using Cu(II)-enzyme as a catalyst to give high yield (94%). In biological screening, benzopyran-connected pyrazole (2h) was highly active compared with benzopyran-connected pyrimidine (1a–g) series in terms of larivicidal activity.

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The coronavirus disease (COVID-19) is caused by the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2). As isatin-containing compounds exhibit several remarkable biological activities, isatin derivatives were prepared to combat the global pandemic caused by SARS-CoV-2 that is gripping the world. Herein, the synthesis of novel isatin derivatives has been reported. The cytotoxic activities of the compounds were determined using cancer cell (MCF-7) and normal cell (MCF-10A and MRC-5) lines. In silico molecular docking experiments were conducted using AutoDock Vina. We have successfully predicted the binding energies and the number of hydrogen bonds present. We have also identified the residues involved in hydrogen bond formation. The target compounds were synthesized using Schiff base following cyclization and Knoevenagel condensation reactions. We have focused on the recyclable synthesis of silver nanoparticles (AgNPs) using the extracts obtained from Dipteryx odorata. The extracts were used to reduce silver ions for the production of AgNPs. The synthesized nanoparticles exhibited excellent catalytic activities during the synthesis of isatin derivatives in ethanol. The formation of the target isatin derivatives has been confirmed using the Fourier transform-infrared (FT-IR), proton nuclear magnetic resonance (1H NMR) spectroscopy, 13C NMR spectroscopy, mass spectrometry, and elemental analysis techniques. Compound 3e was found to be the most active compound when tested against the MCF-7 cancer cell line ( I C 50 = 20.5 μ M ). The activity was comparable to the activities of standard doxorubicin and other compounds. In silico molecular docking experiments were conducted to study the spike protein in SARS-CoV-2 (PDB ID: 6LU7). Compound 3c exhibited high binding ability (−9.4 kcal/mol). The inhibition ability was studied using hydroxychloroquine as a standard. Results from docking studies revealed that the inhibition ability of compound 3c was higher than the inhibition abilities exhibited by other compounds. The synthesized compound 3e is a potential antiviral drug that can be used for treating the COVID-19 disease.

This work investigated the interaction of indole with SARS-CoV-2. Indole is widely used as a medical material owing to its astounding biological activities. Indole and its derivatives belong to a significant category of heterocyclic compounds that have been used as a crucial component for several syntheses of medicine. A straightforward one-pot three-component synthesis of indole, coupled with Mannich base derivatives 1a–1j, was synthesized without a catalyst. The products were confirmed by IR, 1H-NMR, 13C-NMR, mass spectra, and elemental analysis. The indole derivatives were tested for cytotoxic activity, using three cancer cell lines and normal cell lines of Human embryonic kidney cell (HEK293), liver cell (LO2), and lung cell (MRC5) by MTT assay using doxorubicin as the standard drug. The result of cytotoxicity indole compound 1c (HepG2, LC50−0.9 μm, MCF−7, LC50−0.55 μm, HeLa, LC50−0.50 μm) was found to have high activity compared with other compounds used for the same purpose. The synthesized derivatives have revealed their safety by exhibiting significantly less cytotoxicity against the normal cell line (HEK-293), (LO2), and (MRC5) with IC50 > 100 μg/ml. Besides, we report an in silico study with spike glycoprotein (SARS-CoV-2-S). The selective molecules of compound 1c exhibited the highest docking score −2.808 (kcal/mol) compared to other compounds. This research work was successful in synthesizing a few compounds with potential as anticancer agents. Furthermore, we have tried to emphasize the anticipated role of indole scaffolds in designing and discovering the much-awaited anti-SARS CoV-2 therapy by exploring the research articles depicting indole moieties as targeting SARS CoV-2 coronavirus.

Copper nanoparticles (Cu-Nps) are one of the promising materials for the advancement of nanoscience and technology. In this work, we synthesized telmisartan copper nanoparticles and 2-pyrimidinamines via Biginelli reaction using telmisartan copper nanoparticles (Cu-Nps) as a reusable catalyst. The synthesis of 2-pyrimidinamine derivatives (1a-c) was achieved in water and under solvent-free condition (Green chemistry approach). Synthesis of 2-pyrimidinamine with telmisartan copper nanoparticle (Cu-Nps–Pyr) unexpected product was also isolated from synthesis of 2-pyrimidinamine preparation. Antioxidant and cytotoxic activities were carried out both in 2-pyrimidinamine (1a-1c) and 2-pyrimidinamine with telmisartan copper nanoparticles (Cu-Nps–Pyr). The synthesized 2-pyrimidinamine derivatives (1a-c) were characterized from FT-IR, 1H and 13C NMR spectroscopy, mass and elemental analyses. The synthesized telmisartan copper nanoparticles (Cu-Nps) were characterized from UV spectroscopy, XRD, SEM, EDX, AFM (atomic force microscopy), profile, waviness, and roughness analyses. Antioxidant activity was screened based on ABTS⋅+ radical scavenging and linoleic acid peroxidation performance. Cu-Nps–Pyr-1b showed substantial antioxidant (97.2%) activity against ABTS⋅+ assay and 91.2% activity against AAPH assays compared with Trolox. Cytotoxicity was evaluated using HepG2, HeLa, and MCF-7 cell lines, the Cu-Nps–Pyr-1a is high in toxicities ( G I 50 = 0.01 μm) against the HeLa cancel cell line compared with doxorubicin. The developed copper NPs with 2-pyrimidinamine (Cu-Nps–Pyr) could provide promising advances as antioxidant activities; this nanocomposition could be considered an anticancer treatment in future investigations.

A series of benzopyran-connected pyrimidine (1a-g) and benzopyran-connected pyrazole (2a-i) derivatives were synthesized

Purpose: To evaluate the larvicidal, nematicidal, antifeedant, and antifungal effects of 10 solvent extracts of Mentha spicata root. Methods: Ten solvent extracts were investigated for their total flavonoid and phenolic content and screened for larvicidal, nematicidal, antifeedant, and antifungal activities. The total phenolic content of the extracts was determined using the Folin–Ciocalteu method, while total flavonoid content was determined by aluminium chloride (AlCl 3 ) colorimetric assay. Four solvents extracts were screened for antifungal activity against Aspergillus niger , Candida albicans, recultured Cryptococcus neoformans , and Microsporum audouinii using the agar diffusion method. The nematicidal activity of the compounds was evaluated against the juvenile Meloidogyne javanica organism, while larvicidal properties were evaluated against the urban mosquito Culex quinquefasciatus using a standard bioassay protocol. The antifeedant activity of marine acclimated Oreochromis mossambicus was used for evaluating ichthyotoxic potential. Results: The total flavonoid content in the extracts ranged from 18.5 to 83.4 mg/g, and the amount of free phenolic compounds ranged from 14.7 to 91.9 mg/g of extract powder. The water extract of these plants exhibited significant antioxidant activity and significant levels of phenolics and flavonoids. The water extract exhibited higher larvicidal (LD 50 = 11.77 μg/mL), nematicidal (LD 50 = 11.78 μg/mL), antifeedant (LD 50 > 40 μg/mL), and antifungal activities (minimum inhibitory concentration: 16 μg/mL) against M. audouinii compared with the other extracts. Conclusion: These results show that the water extract of Mentha spicata may be used as a potential natural alternative source of nutritional and pharmaceutical ingredients. Keywords: Mentha spicata , Larvicidal, Nematicidal, Antifeedant and Antifungal activities, Nutritional supplement, Pharmaceutical ingredients