Synthesis, biological evaluation and in silico studies of tetrazole-heterocycle hybrids

被引：27
|
作者：
Sribalan, Rajendran [1 ]
Banuppriya, Govindharasu [1 ]
Kirubavathi, Maruthan [1 ]
Padmini, Vediappen [1 ]
机构：
[1] Madurai Kamaraj Univ, Sch Chem, Dept Organ Chem, Madurai 625021, Tamil Nadu, India
来源：
JOURNAL OF MOLECULAR STRUCTURE | 2019年 / 1175卷
关键词：
Hybrid tetrazole; Antimicrobial; Anti-inflammatory; Molecular docking; Molecular orbitals; ANTIBACTERIAL ACTIVITY; MOLECULAR DOCKING; DERIVATIVES;
D O I：
10.1016/j.molstruc.2018.07.114
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The series of three different chemical entities of tetrazole-heterocycle hybrids such as thiophene, pyridine and quinoline tetrazoles were synthesized and characterized for the purpose to develop new lead molecules. Biological evaluations such as in vitro antimicrobial and anti-inflammatory activities were studied. Further, the in silico studies such as Molecular docking (with COX-1, COX-2 and 3TTZ), OFT calculations, the Molecular electrostatic potential (MEP) and ACME were investigated. (C) 2018 Elsevier B.V. All rights reserved.
引用
收藏
页码：577 / 586
页数：10
相关论文
共 50 条
  • [31] Synthesis, biological evaluation and in silico studies of 2-aminoquinolines and 1-aminoisoquinolines as antimicrobial agents
    Vashistha, Aditi
    Kumar, Sunil
    Kirar, Seema
    Sharma, Nikhil
    Das, Bhanuranjan
    Banerjee, Uttam Chand
    Pawar, Sandip, V
    Kumar, Rajnish
    Yadav, Ashok Kumar
    COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2023, 102
  • [32] Synthesis, Physicochemical Characterization, Biological Evaluation, In Silico and Molecular Docking Studies of Pd(II) Complexes with P, S-Donor Ligands
    Khan, Hizbullah
    Sirajuddin, Muhammad
    Badshah, Amin
    Ahmad, Sajjad
    Bilal, Muhammad
    Salman, Syed Muhammad
    Butler, Ian S.
    Wani, Tanveer A.
    Zargar, Seema
    PHARMACEUTICALS, 2023, 16 (06)
  • [33] Synthesis of Novel Hybrids Containing 1,2,3-Triazole-Linked Tetrazole Moieties, Evaluation of Anticancer Activity and Molecular Docking Studies
    Jarupula, V.
    Kumar, E. Praveen
    Bujji, S.
    Shivarathri, P.
    Neeradi, S.
    Morthad, M.
    Reddy, Kotha Laxma
    RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2023, 93 (SUPPL 4) : S849 - S857
  • [34] Novel Dibenzoazepine-Substituted Triazole Hybrids as Cholinesterase and Carbonic Anhydrase Inhibitors and Anticancer Agents: Synthesis, Characterization, Biological Evaluation, and In Silico Studies
    Erdogan, Musa
    Onder, Alper
    Demir, Yeliz
    Comert Onder, Ferah
    ACS OMEGA, 2024, 9 (47): : 46860 - 46878
  • [35] Molecular hybrids integrated with imidazole and hydrazone structural motifs: Design, synthesis, biological evaluation, and molecular docking studies
    Tapera, Michael
    Saripinar, Emin
    Kekecmuhammed, Hueseyin
    Dogan, Murat
    Tuzun, Burak
    Kocyigit, Uemit M.
    Cetin, Feyza Nur
    JOURNAL OF MOLECULAR LIQUIDS, 2023, 391
  • [36] NovelN-4-Piperazinyl Ciprofloxacin-Ester Hybrids: Synthesis, Biological Evaluation, and Molecular Docking Studies
    Shahbazi, A.
    Mostafavi, H.
    Zarrini, G.
    Mahdavi, M.
    RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2020, 90 (08) : 1558 - 1565
  • [37] Design, synthesis, biological evaluation, and in silico studies of quinoxaline derivatives as potent p38α MAPK inhibitors
    Anjali
    Kamboj, Payal
    Alam, Ozair
    Patel, Harun
    Ahmad, Iqrar
    Ahmad, Syed Sufian
    Amir, Mohd.
    ARCHIV DER PHARMAZIE, 2024, 357 (01)
  • [38] Synthesis, Biological Evaluation, Molecular Docking Studies and ADMET Prediction of Oxindole-Based Hybrids for the Treatment of Tuberculosis
    Patel, Vaishali Pavalbhai
    Tripathi, Rati Kailash Prasad
    Das Mandal, Snigdha
    CURRENT COMPUTER-AIDED DRUG DESIGN, 2024, : 517 - 533
  • [39] A Novel Series of Acylhydrazones as Potential Anti-Candida Agents: Design, Synthesis, Biological Evaluation and In Silico Studies
    Borcea, Anca-Maria
    Marc, Gabriel
    Ionut, Ioana
    Vodnar, Dan C.
    Vlase, Laurian
    Gligor, Felicia
    Pricopie, Andreea
    Pirnau, Adrian
    Tiperciuc, Brindusa
    Oniga, Ovidiu
    MOLECULES, 2019, 24 (01)
  • [40] Synthesis of novel pancreatic lipase inhibitors: Biological investigation and in silico studies
    Mermer, Arif
    Demirci, Serpil
    Tatar, Gizem
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (02) : 931 - 940
12345