Quinazoline is an organic heterocyclic molecule in which two six-membered aromatic rings are fused. Two nitrogen atoms are present in the quinazoline molecule at 1 and 3 positions that is why it is also known as 1,3-diazanaphthalene. The presence of these two nitrogen atoms in 1,3-diazanaphthalene increases the usefulness of this molecule in the field of pharmaceutical sciences. Many reactions have been reported to prepare 1,3- diazanaphthalene by aminobenzonitrile, o-aminobenzohydrazide, aminobenzamide, aminoacetophenone, and aminobenzoketone under different solvent conditions, but condensation of anthranilic acid with an aromatic aldehyde is the most common method. Later, metal-free and solvent-free conditions dominated over the old methods. This review describes the synthesis of 1,3-diazanaphthalene under different metal catalysts, reagents, solvent- free conditions and under microwave radiation through nucleophilic substitution reaction, condensation, and aromatization. In biological sciences, 1,3-diazanaphthalene derivatives have got an important place due to their ability to bind to different target sites and subsequent discovery of many drug structures.

The year of 2019–2021 is emergency that the world is facing due to the spread of 2019-nCoV which has created a very critical condition in human society, known as COVID-19. The complex virus belongs to the family of coronaviridae and genera betacoronavirus and spreads through human interaction. The common symptoms observed in infected are a sudden rise in body temperature within 1^st to 9^th day of infection, problems around the neck and throat from the start of the infection followed by the spread of infection into the lungs that cause novel coronavirus pneumonia and kidney failure. Many of the receptor proteins of the severe acute respiratory syndrome coronavirus (SARS-CoV-2) and target proteins of the human cells are responsible for endocytosis such as main protease or 3C-like protease, RNA polymerase, and spike protein. These proteins play a vital role in the life cycle of SARS-CoV-2. Many of the computational designed drugs and docking-based drugs are reported as anti-COVID-19. Many of the drugs show strong potent activity against this deadly virus. This study demonstrates the synthetic and computational designed approach, drugs, and compounds for the potential inhibition of the SARS-CoV-2 virus. The review will be helpful in finding a new approach of a drug as an inhibitory receptor of SARS-CoV-2.

The Prostate cancer (PC) is a major problem all over worldwide and this is the second highest cancer-related mortality rate after lung cancer all over worldwide. At least 299,010 likely cases in men were reported in the US in 2024 and about 35,250 deaths are reported. The overexpression of prostate-specific membrane antigen (PSMA) is a key factor in the progression of prostate cancer and contributes to metastasis in lymph nodes, soft tissues and bones metastasis. The numerous studies have reported that, Glu-ureido-based molecules exhibit high binding affinity for PSMA. The earliest imaging agents developed from this structure were labeled with radioactive halogen isotopes and demonstrated nanomolar binding affinity, leading to exceptional imaging properties. Hence the Glu-ureido chemical moiety is a very important template as inhibitor of PSMA. In this study to explore the chemical structural and electronic features of Glu-Ureido structure with the aid of quantum chemistry computer simulations. In this study, first optimized the structure of this chemical structure using the B3LYP 6311-G (++, d, p) basis set. In this study investigated the maximal quantity of electronic charge transfer (N_max), chemical hardness (η), electrostatic potential, chemical potential (µ) and electrophilicity (ω). By the using Natural Bond Orbital (NBO) analysis, the examination shows that the molecule’s chemically active regions π-electron-electron delocalization within the molecule that contribute to its stability.

2-[18F]fluoro-D-glucose ([18F]FDG) is a versatile molecule in nuclear medicine that has evolved into a vital radiotracer in medical imaging applications via positron emission tomography (PET) [18F]FDG is derived from its derivative, 2-deoxyD-glucose (2-DG), where the triflate group is attached to carbon-2 [18F]FDG serves as a crucial non-invasive diagnostic tool and is prominently utilized in non-invasive imaging of various metastatic diseases, particularly cancer imaging. Its importance as a tracer has been further enhanced by its unexpected attribute of generating a low body background through excretion, leading to its effective application in PET/CT for highly-sensitive and specific tumor detection. This chapter provides insight into the synthesis of [18F]FDG, employing various reaction protocols such as electrophilic and nucleophilic processes. This chapter also summarized the purification and their quality assurance methods and highlighted the distinct challenges associated with each. The nucleophilic technique produces [18F]FDG with a higher yield and purity than the electrophilic method for routine manufacture. Commercially devoted automated modules for FDG production use this method, demonstrating its widespread use in clinical imaging. Nucleophilic reactions of [18F]fluoride ions attacking the C-2 position of mannose triflate to produce FDG are routine in clinical imaging. The final [18F]FDG product satisfies safety, purity, and efficacy standards through rigorous quality control and assurance. The trajectory from glucose discovery to the development of [18F]FDG exemplifies the continuing advancement of medical imaging methods. FDG's accomplishment shows how biology, chemistry, and medical technology are interrelated, providing a better understanding and treatment of complicated diseases like cancer.

The FDA approved rufinamide, chemically 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide, a triazole-based scaffold, as an anticonvulsant drug in 2008. It is mainly used to treat seizures associated with Lennox–Gastaut Syndrome (LGS). The exact mechanism of rufinamide is unknown, but some literature reported that rufinamide works by regulating the brain’s sodium channel activity, which aids in maintaining the stability of neuronal membranes and averting the overabundance of electrical activity. In the view of computational chemistry, the amide group, fluorine atom, and triazole ring are the specific parts of this skeleton and play an important role in action with the receptor. This study explored computerized simulations of quantum chemistry techniques to investigate the chemical structure and electrical properties of rufinamide. An optimizing structure started the quantum calculation through the B3LYP 6311-G (++, d, p) basis set, explored along with investigating the maximal quantity of electronic charge transfer (N_max), chemical hardness (η), electrostatic potential, chemical potential (µ), and electrophilicity (ω). The Natural Bond Orbital (NBO) analysis-based observation reveals that the molecule’s chemically active regions have hyperconjugated electron interactions within the molecule, which contributes to the molecule’s stability. This study explores the role of the amide group and difluoro-substituted phenyl group in chemical structure and in binding property with the receptor of the Ca²⁺–and voltage-activated K⁺ channel.