Powerful Approach for New Drugs as Antibacterial Agents via Molecular Docking and In Vitro Studies of Some New Cyclic Imides and Quinazoline-2,5-diones

Dalal Nasser Binjawhar; Ola A Abu Ali; Arwa Sultan Alqahtani; Eman Fayad; Ahmed M Abo-Bakr; Antonous M Mekhael; Fayza M Sadek

doi:10.1021/acsomega.4c01176

Powerful Approach for New Drugs as Antibacterial Agents via Molecular Docking and In Vitro Studies of Some New Cyclic Imides and Quinazoline-2,5-diones

ACS Omega. 2024 Apr 10;9(16):18566-18575. doi: 10.1021/acsomega.4c01176. eCollection 2024 Apr 23.

Authors

Dalal Nasser Binjawhar¹, Ola A Abu Ali², Arwa Sultan Alqahtani³, Eman Fayad⁴, Ahmed M Abo-Bakr⁵, Antonous M Mekhael⁶, Fayza M Sadek⁷

Affiliations

¹ Department of Chemistry, College of Science, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia.
² Department of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia.
³ Department of Chemistry, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), P.O. Box 90950, Riyadh 11623, Saudi Arabia.
⁴ Department of Biotechnology, College of Sciences, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia.
⁵ Chemistry Department, Faculty of Science, South Valley University, P.O. Box 83523, Qena 83523, Egypt.
⁶ Cotton Leaf Worm Department, Plant Protection Research Institute, Agriculture Research Center, P.O. Box 12619, Giza 12611, Egypt.
⁷ Radiation Sciences Department, Medical Research Institution, Alexandria University, P.O. Box 21500, Alexandria 5424041, Egypt.

Abstract

We generated novel elven 1,2,3,6-tetrahydrophthalimides and tetrahydroquinazoline derivatives from 1,2,3,6-tetrahydrophthalic anhydride (1) in response to our interest in using the anhydrides to produce heterocyclic nitrogen compounds. The elemental and spectral analyses of the produced compounds validated the recommended configurations and MOE 2014.09 (Molecular Operating Environment) computations were used to perform their in silico analysis. The synthesized compounds have been analyzed and put through various experiments, including in vitro and in silico methods to assess their biological activity against Escherichia coli Penicillin-Binding Protein 3 (PBP3) and Staphylococcus aureus Penicillin-Binding Protein 2 (PBP2), among these compounds showing promising data as antibacterial drugs.