title: Synthesis, antitumor and antimicrobial activity of some new 6-methyl-3-phenyl-4(3H)-quinazolinone analogues: in silico studies.
abstract: Some new derivatives of substituted-4(3H)-quinazolinones were synthesized and evaluated for their in vitro antitumor and antimicrobial activities. The results of this study demonstrated that compound 5 yielded selective activities toward NSC Lung Cancer EKVX cell line, Colon Cancer HCT-15 cell line and Breast Cancer MDA-MB-231/ATCC cell line, while NSC Lung Cancer EKVX cell line and CNS Cancer SF-295 cell line were sensitive to compound 8. Additionally, compounds 12 and 13 showed moderate effectiveness toward numerous cell lines belonging to different tumor subpanels. On the other hand, the results of antimicrobial screening revealed that compounds 1, 9 and 14 are the most active against Staphylococcus aureus ATCC 29213 with minimum inhibitory concentration (MIC) of 16, 32 and 32 μg/mL respectively, while compound 14 possessed antimicrobial activities against all tested strains with the lowest MIC compared with other tested compounds. In silico study, ADME-Tox prediction and molecular docking methodology were used to study the antitumor activity and to identify the structural features required for antitumor activity.
authors.affiliation: a Department of Pharmaceutical Chemistry , College of Pharmacy, King Saud University , Riyadh , Saudi Arabia .
authors.forename: Amer M
authors.initials: AM
authors.lastname: Alanazi
authors.affiliation: a Department of Pharmaceutical Chemistry , College of Pharmacy, King Saud University , Riyadh , Saudi Arabia .|b Department of Medicinal Chemistry , Faculty of Pharmacy, University of Mansoura , Mansoura , Egypt .
authors.forename: Alaa A-M
authors.initials: AA
authors.lastname: Abdel-Aziz
authors.affiliation: c Department of Pharmaceutical Chemistry , Faculty of Pharmacy, Al-Azhar University , Cairo , Egypt .
authors.forename: Taghreed Z
authors.initials: TZ
authors.lastname: Shawer
authors.affiliation: c Department of Pharmaceutical Chemistry , Faculty of Pharmacy, Al-Azhar University , Cairo , Egypt .
authors.forename: Rezk R
authors.initials: RR
authors.lastname: Ayyad
authors.affiliation: a Department of Pharmaceutical Chemistry , College of Pharmacy, King Saud University , Riyadh , Saudi Arabia .
authors.forename: Abdulrahman M
authors.initials: AM
authors.lastname: Al-Obaid
authors.affiliation: d Department of Pharmaceutics and Microbiology , College of Pharmacy, King Saud University , Riyadh , Saudi Arabia , and.
authors.forename: Mohamed H M
authors.initials: MH
authors.lastname: Al-Agamy
authors.affiliation: b Department of Medicinal Chemistry , Faculty of Pharmacy, University of Mansoura , Mansoura , Egypt .
authors.forename: Azza R
authors.initials: AR
authors.lastname: Maarouf
authors.affiliation: a Department of Pharmaceutical Chemistry , College of Pharmacy, King Saud University , Riyadh , Saudi Arabia .|e Department of Organic Chemistry , Faculty of Pharmacy, Al-Azhar University , Cairo , Egypt.
authors.forename: Adel S
authors.initials: AS
authors.lastname: El-Azab
mesh_terms: D000890:Anti-Infective Agents / Q000138:chemical synthesis / Q000494:pharmacology; D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000494:pharmacology; D045744:Cell Line, Tumor; D049109:Cell Proliferation; D002470:Cell Survival / Q000187:drug effects; D006801:Humans; D008826:Microbial Sensitivity Tests; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D052999:Quinazolinones / Q000138:chemical synthesis* / Q000494:pharmacology*; D040141:Staphylococcaceae / Q000187:drug effects
chemical_list: D000890:Anti-Infective Agents; D000970:Antineoplastic Agents; D052999:Quinazolinones; C061339:4-hydroxyquinazoline
keywords: Antimicrobial; in silico study; in vitro antitumor; molecular docking; quinazolinones