title: Synthesis, docking and evaluation of antioxidant and antimicrobial activities of novel 1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-yl)selenopheno[2,3-d]pyrimidines.
abstract: A series of 1,2,4-(triazolo[3,4-b][1,3,4]thiadiazol-6-yl)selenopheno[2,3-d]pyrimidines (10a-j) were synthesized with various substituted anilines and benzoic acids. Structures of newly synthesized compounds were established by IR, (1)H &(13)C NMR and LC-MS spectral data. The antioxidant activity of the synthesized compounds was evaluated by DPPH, NO and H2O2 radical scavenging methods. The newly synthesized compounds were evaluated for their antimicrobial activity against Gram +ve and Gram -ve bacteria and antifungal activity by well diffusion method. Compounds 10d, 10h and 10i showed promising antioxidant, antibacterial as well as antifungal activity and these were found to be the most potent activity molecules when compared with that of standard drugs. Molecules docking studies have been performed on Staphylococcus aureus (SA) of Gram +ve bacteria.
authors: Department of Chemistry, Sri Venkateswara University, Tirupati 517 502, Andhra Pradesh, India.
authors: Y
authors: Y
authors: Kotaiah
authors: Department of Chemistry, Sri Venkateswara University, Tirupati 517 502, Andhra Pradesh, India.
authors: K
authors: K
authors: Nagaraju
authors: Department of Chemistry, Sri Venkateswara University, Tirupati 517 502, Andhra Pradesh, India.
authors: N
authors: N
authors: Harikrishna
authors: Department of Chemistry, Sri Venkateswara University, Tirupati 517 502, Andhra Pradesh, India. Electronic address: cvrsvu@gmail.com.
authors: C
authors: C
authors: Venkata Rao
authors: Molecular Modeling and Medicinal Chemistry Group, Department of Chemistry, Nizam College, Hyderabad 500001, Andhra Pradesh, India.
authors: L
authors: L
authors: Yamini
authors: Molecular Modeling and Medicinal Chemistry Group, Department of Chemistry, Nizam College, Hyderabad 500001, Andhra Pradesh, India.
authors: M
authors: M
authors: Vijjulatha
mesh_terms: D000890:Anti-Infective Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D000975:Antioxidants / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D001419:Bacteria / Q000187:drug effects; D001424:Bacterial Infections / Q000188:drug therapy; D001555:Benzene Derivatives / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D005658:Fungi / Q000187:drug effects; D006801:Humans; D008826:Microbial Sensitivity Tests; D062105:Molecular Docking Simulation; D009181:Mycoses / Q000188:drug therapy; D016566:Organoselenium Compounds / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D011743:Pyrimidines / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D013830:Thiadiazoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology
chemical_list: D000890:Anti-Infective Agents; D000975:Antioxidants; D001555:Benzene Derivatives; D016566:Organoselenium Compounds; D011743:Pyrimidines; D013830:Thiadiazoles; C018846:benzeneselenol
keywords: Antimicrobial activities; Antioxidant properties; Molecular docking; Selenopheno[2,3-d]pyrimidines; Synthesis; Triazolothiadiazoles