pyrimidine conveys antimicrobial activity against various micro pathogens having functionalized properties. As a result, this study has designed to illustrate the antibacterial, antifungal, and antiviral properties of pyrimido [4,5-d]pyrimidine. First of all, these structures have been optimized from the characterization of synthesis for calculating chemical descriptors by DFT. Next, the auto docking and target docking against 12 proteins, such as Pseudomonas aeruginosa (2Y0H), Bacillus cereus (1AH7), Escherichia coli (6DR3), Shigella dysenteriae (3FHH) Salmonella typhi (3FHU), Aspergillus niger (1ACZ), Aspergillus flavus (1XY3), Rhizomucor miehei (4WTP), Candida auris (6U8J), three proteins of SARS-CoV-2 (7T9J, 7T9L, and 7TB4) were performed for the determination of binding sites and binding affinity. One FDA approved drug (Ampicillin) has docked against 12 proteins while the Bacillus cereus (Bacteria), Aspergillus flavus (Fungus), and SARS-CoV-2, 7T9L (Omicron) are obtained the best binding affinity after docking. The most common residues are the PHE-66, ARG-176 and VAL-124 for Bacillus cereus, Aspergillus flavus and SARS-CoV-2, Omicron (7T9L), respectively, as they blocked the active sites by the ligands as inhibitors. It is revealed that this study contained both auto docking and target docking whereas the binding affinity of auto docking is that the binding affinity for auto docking is higher than target docking. Finally, among the nine compounds, three compounds show outstanding results against bacteria, fungus and virus. At last, molecular dynamics were performed to check the stability and validation of the docked complex and quantum calculations obtained the molecular properties, as well as ADMET, pharmacokinetics, Lipinski Rule and QSAR data.

Trityl-type new protecting groups were easily prepared from the reaction of 1-bromonaphthalene or 2bromonaphthalene and 4-methoxy substituted benzophenones following the Grignard reaction. Aryl-methyl alcohols were transferred to tetrafluoroborate salts using tetrafluoroboric acid. The alcohols also reacted with acetyl chloride to give halides of the protecting groups. The selective protection of amine, sulfur, and hydroxyl groups was obtained by the reaction of the newly synthesized protecting groups (halides and tetrafluoroborate salts). Slightly aqueous acidic conditions were used for deprotection reactions to give alcohols. It can be said that the new protective groups synthesized in this study can be a good alternative to other protecting groups in terms of low solvent use, simple procedures, economic advantages, and environmental protection.

The present work described one-pot three-component synthesis of tetrahydro benzo[b]pyran derivatives using Water Extract of Watermelon Fruit Peel Ash (WEWFPA) as a inexpensive grener catalyst.The title compounds were synthesized via the condensation reaction of aromatic aldehyde, dimedone, and ethyl cyanoacetate under microwave irradiation in agro-waste solvent medium and ethanol as a co-solvent.The developed method is simple, rapidity, high yields, pure, low cost, mild reaction condition, evading use of toxic metals and solvent, and the catalyst reusability are the main advantages.The resulting products were isolated by simple workup and recrystallization gave pure compounds.Further, the oxidation and reduction potential of the selected tetrahydrobenzo[b]pyran derivatives were studied using cyclic voltammetry.

The SARS-CoV-2 virus, accountable for the COVID-19 pandemic, is now sweeping the globe. As a result, as this disease resists testing and adoption of new treatments, repositioning existing medications may provide a quick and appealing method with established safety, features, and dose used. They are not, however, specific or focused. However, numerous medications have been studied for their efficacy and safety in treatment of COVID-19, with the majority currently undergoing clinical trials. The goal is to rapidly expand novel preventative and therapeutic medications, as well as to apply preventive methods such as early patient identification, isolation, and treatment. Moreover, reducing transmission through physical contact is also important. In the fight against this dangerous disease, finding the proper treatment is crucial. This article summarizes several anti-malarial, anti-parasitic, monoclonal antibodies, immunosuppressant, and immunomodulating agents in clinical trials for COVID-19. The purpose of this article is to evaluate and explore the potential roles of several medications now utilized in COVID-19.

The carbazole skeleton is the key structural motif of many bioactive molecules including synthetic and natural products. The carbazole derivatives bearing different functional groups have important pharmacological activities and are widely used in medicine and pharmacology. Ethyl 9H-carbazol-9-yl acetate was synthesized from the reaction of the carbazole with ethyl bromoacetate. The acetate ester derivative was converted into the 2-(9Hcarbazol-9-yl) acetohydrazide through treatment with hydrazine hydrate. The target compounds were synthesized by using carbazole-hydrazides and various aromatic acid chlorides. Acetyl benzohydrazide derivatives were prepared from the nucleophilic addition-elimination reactions of corresponding benzoyl chloride and 2-(9H-carbazol-9-yl) acetohydrazide in THF at room temperature condition. The structures of all newly synthesized compounds were characterized using different spectroscopic techniques, such as FT-IR, 1 H NMR, 13 C NMR, and HRMS. The urease enzyme activities of these compounds were investigated using Jack bean urease as the model enzyme.

Novel monopeptide-anthraquinone conjugates (1-16) were synthesized by the reaction of appropriate N-protected amino acid with 2-hydroxymethylanthraquinone in good or high yields. The structural elucidation of the new compounds was accomplished by 1 H NMR, 13 C NMR, MS, FT-IR spectroscopy and elemental analysis techniques. The carbonic anhydrase (CA, EC 4.2.1.1) inhibitory activity of the new compounds was determined against two human (h) isoforms, hCA I and hCA II. While three of the sixteen compounds showed moderate in vitro carbonic anhydrase inhibitory properties against hCA II with inhibition constants in the micromolar level (43.5, 67.4 and 78.1 M), they did not show inhibitory activity against hCA I up to 100 M concentration. The antioxidant abilities of the compounds were determined using the 1,1-diphenyl-2-picrylhydrazil (DPPH) radical scavenging method, ferric ion reducing assay and metal chelation methods. While a small amount of antioxidant activity was observed according to the DPPH and ferric ion reducing power assay methods, none of the compounds showed antioxidant properties according to the metal chelating activity method at the concentrations studied.

The synthesis of precursors of neurotoxic ɣ-glutamyl β-cyanoalanine was developed starting from L-Serine via through the preparation of b-cyanoalanine and glutamyl units. Coupling of these two intermediates gave methyl ester of ɣ-glutamyl β-cyanoalanine precursor.

Tetrabutylammonium bromide (TBAB) and cesium carbonate (Cs2O3) catalyzed, one-pot three-component synthesis of 2H-indazole[2,1b]phthalazine-1,6,11(13H)-triones was developed at room temperature in ethanol. Both electron donating and withdrawing groups are compatible under the optimized reaction parameters.

A small collection of 2-hydroxy-N-(5-methyl/nonsubstituted 4-oxo-2-substituted phenyl-1,3-thiazolidin-3yl)-2-phenylacetamides (3-16) was synthesized from the cyclocondensation of 2-hydroxy-2-phenyl-N'-[(substitutedphenyl)methylene]acetohydrazides (2) and mercaptoethanoic acid or 2-mercaptopropanoic acid, characterized with spectral and elemental analysis. In order to explore their antimycobacterial potential, newly synthesized fourteen compounds were screened for their inhibitory activity against Mycobacterium tuberculosis strain H37Rv at 6.25 g/mL with in-vitro primary tests. Compound 7 was found to provide the highest inhibition (98%) M. tuberculosis strain H37Rv, while most of the new derivatives showed different inhibition ratios. For the search of the putative targets which are considered as related to the antimycobacterial activity of these molecules, docking studies were performed. With molecular dynamic simulations, further possible interactions between ligands and the active site of the selected enzymes were investigated. Eventually, molecular modelling studies indicated that at least part of the mechanism of action of these compounds may be mediated by inhibition of MtInhA.

N-substituted aziridine diethyl phosphonates were synthesized easily in two steps starting from vinyl phosphonate or acetyl phosphonate. The controlled mono hydrolysis without opening the aziridine ring under mild reaction conditions was achieved by alkaline solution of LiOH. The corresponding phosphonic acid lithium salt was desalted by the use of Amberlite IRC-50H + acting as an efficient and recyclable weakly acidic cation exchange promoter. Antimicrobial activity of the synthesized compounds was tested against E. coli ATCC 25922, Staphylococcus aureus (MRSA), Klebsiella pneumoniae NRLL B-4420, Acetobacter baumanii (wild type), Pseudomonas aeroginosa (ATCC 27853) and Enterobacter aerogenes NRLL B-3567. In general, all the compounds showed moderate antibacterial activity.