title: Combating oxidative stress in epilepsy: design, synthesis, quantum chemical studies and anticonvulsant evaluation of 1-(substituted benzylidene/ethylidene)-4-(naphthalen-1-yl)semicarbazides.
abstract: A series of 1-(substituted benzylidene/ethylidene)-4-(naphthalen-1-yl)semicarbazides (3a-19a; 3b-6b) were synthesized in good yield and evaluated for their anticonvulsant and antioxidant activities. The structures of the synthesized compounds were confirmed on the basis of their spectral data and elemental analysis. All of the compounds were found to be active in MES and scPTZ tests. Quantum chemical studies were carried out on these compounds to understand the structural features essential for activity. Electronic properties were found to be the principal modulator of both anticonvulsant and antioxidant activities. A computational study was carried out for prediction of pharmacokinetic properties and none of the compounds violated Lipinski's rule of 5, making them potentially promising agents for the treatment of epilepsy.
authors.affiliation: Laboratory of Medicinal Chemistry, Faculty of Pharmacy, University of Seventh October, PO Box 2873, Misurata, Libyan Arab Jamahiriya. azamfaizul@yahoo.co.in
authors.forename: Faizul
authors.initials: F
authors.lastname: Azam
authors.forename: Bashir A
authors.initials: BA
authors.lastname: El-Gnidi
authors.forename: Ismail A
authors.initials: IA
authors.lastname: Alkskas
mesh_terms: D000818:Animals; D000927:Anticonvulsants / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology / Q000627:therapeutic use; D000975:Antioxidants / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology / Q000627:therapeutic use; D001597:Benzylidene Compounds / Q000737:chemistry*; D015195:Drug Design; D004583:Electrons; D004827:Epilepsy / Q000178:diet therapy* / Q000378:metabolism*; D008297:Male; D051379:Mice; D018384:Oxidative Stress / Q000187:drug effects*; D011789:Quantum Theory; D012663:Semicarbazides / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology* / Q000627:therapeutic use
chemical_list: D000927:Anticonvulsants; D000975:Antioxidants; D001597:Benzylidene Compounds; D012663:Semicarbazides