The main aim of this study is to investigate the interaction of 7-fluoro-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one with lysozyme through various spectrophotometric studies. The graph such as Stern-Volmer plot, modified Stern Volmer plot, double logarithmic plot and Van't Hoff plot were plotted to determine the various parameters essential for predicting the interaction. The interaction of the ligand with the protein was further confirmed by circular dichroism and NMR study. The molecular docking was performed and the results obtained were correlated with the other studies. The importance of fluorine was justified through the prediction of pKa values and the possible metabolic pathway using the in silico tools. In addition, the cytotoxicity of the compound was carried out using HeLa cancer cell.

Hemalatha S

Department of Software and Systems Engineering

School of Information Technology and Engineering

Vellore Campus

Madhumitha G

Department of Chemistry

School of Advanced Sciences

Al-Dhabi N.A

Arasu M.V.

Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

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VIT University

Journal of Photochemistry and Photobiology B: Biology

A new and highly efficient microwave promoted N-alkylation of triazolo-quinazolinones was developed by treating various phenyl-substituted heterocyclic amines with benzyl chloride using K2CO3 as a base in the presence of DMF. Also the heterocyclic amines were synthesized by condensing the 3-amino-1,2,4-triazole substituted benzaldehydes and 1,3-cyclohexanedione in the presence of microwave irradiation under solvent free condition. The synthesized heterocycles 4a–o and 6a–o were further confirmed by using different spectroscopic techniques such as NMR and HRMS. The compounds 6a–o was studied for their solvatochromic property with increasing polarity of solvents. The determinations of 2,2-diphenyl-1-picrylhydrazyl radical (DPPH) scavenging effect of the scaffolds 6a–o were carried out by UV–Vis spectrometer. In terms of IC50 all the compounds have shown remarkable antioxidant property compared with Ascorbic acid. © 2016 Elsevier B.V.

Journal of Molecular Liquids

Conventional spectroscopic identification of N-alkylated triazolo-quinazolinones and its antioxidant, solvatochromism studies

Dihydroquinazolinones is an important core structure reported with a wide variety of pharmacological activities. They are capable of undergoing various transformations because of its reactivity towards various reagents. The synthetic strategies for the functionalization and derivatization of the nucleus were explained. The diversified pharmacological actions of this moiety were illustrated through various biochemical pathways. The structural-activity relationship study of dihydroquinazolinones anticipated the relationship between the various substituents and its role in the pharmacological action. The main objective of this review is to summarize the importance of dihydroquinazolinones in the field of chemical biology.

European Journal of Medicinal Chemistry

Synthetic strategy with representation on mechanistic pathway for the therapeutic applications of dihydroquinazolinones

Poly(adenosine diphosphate-ribose) polymerase (PARP) is a group of enzymes with several subtypes and it manages various ailment such as cancer, inflammatory disorders, diabetes mellitus, neuronal injury, HIV infection, Parkinsonism, aging, and ischemia-reperfusion injury. Various PARP inhibitors share a common property of bicyclic lactam in its main structural frame. The core moiety containing bicyclic lactam rings are isoquinolinones, dihydroisoquinolinones, quinazolinediones, phthalazinones, quinazolinones, and phenanthridones. The quinazolinone with diverse substituents displayed low nanomolar inhibition. Quinazolinone is an important and vital molecule in the field of medicinal chemistry possessing multitude pharmacological actions. Though the chemistry of quinazolinones has been discussed through centuries, its concise role on PARP inhibition needed a special consideration. The aim of this review is to discover the effect of quinazolinone substitutents and its role in PARP inhibition. This precise review will discuss the effect of quinazolinones on PARP subtypes such as PARP-1, PARP-2, PARP-5a, and PARP-5b. In addition to its pharmacological actions, PARP inhibitors can also act as a chemosensitizing agent, and it is used in combination with the other anticancer agents. This summarization will definitely be a supportive report for the scientist working toward the novelty in the quinazolinone nucleus and its role in PARP inhibition.

Applied Microbiology and Biotechnology

Inhibition of poly(adenosine diphosphate-ribose) polymerase using quinazolinone nucleus

A new series of brominated derivatives of 2, 3-dihydroquinazolin-4(1H)-one were synthesized and their structures were confirmed using IR, NMR and mass spectra. The synthesized derivatives were screened for their in vitro anthelmintic activity. The investigations on interaction of the bioactive compound, 2i with bovine serum albumin (BSA) were evaluated. The quenching mechanism of the compound, 2i was deduced based on the results of Stern–Volmer equation. The number of binding site, prediction of binding site region and the changes in the secondary structure of protein were predicted using various spectroscopic studies.

Journal of Luminescence

Study of binding interaction between anthelmintic 2, 3-dihydroquinazolin-4-ones with bovine serum albumin by spectroscopic methods

Aspergillosis is one of the infectious fungal diseases affecting mainly the immunocompromised patients. The scarcity of the antifungal targets has identified the importance of N-myristoyl transferase (NMT) in the regulation of fungal pathway. The dihydroquinazolinone molecules were designed on the basis of fragments responsible for binding with the target enzyme. The aryl halide, 1(a-g), aryl boronic acid and potassium carbonate were heated together in water and dioxane mixture to yield new C-C bond formation in dihydroquinazolinone. The bis(triphenylphosphine)palladium(II) dichloride was used as catalyst for the C-C bond formation. The synthesized series were screened for their in vitro antifungal activity against Aspergillus Niger and Aspergillus fumigatus. The binding interactions of the active compound with lysozyme were explored using multiple spectroscopic studies. Molecular docking study of dihydroquinazolinones with the enzyme revealed the information regarding various binding forces involved in the interaction.

Binding mode of dihydroquinazolinones with lysozyme and its antifungal activity against Aspergillus species

A series of 6,7-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-ones, 4a–o were synthesized via a one-pot, multicomponent reaction in the presence of water as a solvent under microwave irradiation using ceric ammonium nitrate as an oxidizing agent. This techno-chemical method provides a rapid construction of higher molecules in short duration with high yield. The adopted method was carried out in the presence of water without catalyst and yielded the compounds without any side products, and thus further purification of compounds by column chromatography was not required. All the synthesized compounds, 4a–o were screened for their 2,2-diphenyl-1-picrylhydrazyl radical scavenging activity. All the compounds, 4a–o possessed moderate antioxidant activity when compared to their standard antioxidant (ascorbic acid). © 2015, Springer Science+Business Media Dordrecht.

Research on Chemical Intermediates

Microwave assisted synthesis of ring junction heterocyclic antioxidants

Cocos nucifera is one of the most adaptable products which possess several protein fractions such as albumins, globulins, prolamines, glutelins 1 and 2 which were found and reported. Since C. nucifera was rich in nutritional value, it has wide medicinal applications. In this manuscript, we have reviewed on the anti-inflammatory, antioxidant, antimicrobial, antimalarial, leishmanicidal, and insecticidal activity. Also C. nucifera act as a low cost agricultural waste which was widely used in the preparation of nanoparticles: in this review, we have also focused on silver, gold, aluminum oxide, and doped nanoparticles like europium doped yttrium oxide nanoparticles. © 2015 Elsevier B.V.

Industrial Crops and Products

Exploitation of Cocos nucifera a non-food toward the biological and nanobiotechnology field

The photochemical synthesis of a series of 2,3-dihydroquinazolin-4(1H)-ones were evaluated under the irradiation of visible light ({\textgreater}390 nm). The effect of the visible light mediated synthesis was carried out in the presence/absence of solvent. The effect of solvent plays a key role in the synthesis was evidenced through the formation of product in short duration. The solvatochromic effects of the fluorescent compounds (3a-k) were studied with respect to the solvents of increasing polarity (DCM {\textless} methanol {\textless} DMF {\textless} DMSO). The determination of in vitro anti-inflammatory activity of the compounds (3a-k) by the inhibition of bovine serum albumin (BSA) denaturation and 2,2-di(4-t-octylphenyl)-1-picrylhydrazyl (DOPPH•) radical scavenging consequence of the compounds (3a-k) were determined by spectroscopic technique. The compound 3j in DMSO exhibited extreme high quantum yield. The compound 3i was found to be superior both in the efficiency of the anti-inflammatory activity and radical scavenging ability.

Journal	Data powered by TypesetJournal of Photochemistry and Photobiology B: Biology
Publisher	Data powered by TypesetElsevier BV
ISSN	1011-1344
Open Access	0