- Synthesis, characterization, antimicrobial, antioxidant and computational evaluation of N-acyl-morpholine-4-carbothioamides
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Abstract: The present research paper reports the convenient synthesis, successful characterization, in vitro antibacterial, antifungal, antioxidant potency and biocompatibility of N-acyl-morpholine-4-carbothioamides (5a–5j). The biocompatible derivatives were found to be highly active against the tested bacterial and fungal strains. Moreover, some of the screened N-acyl-morpholine-4-carbothioamides exhibited excellent antioxidant potential. Docking simulation provided additional information about possibilities of their inhibitory potential against RNA. It has been predicted by in silico investigation of the binding pattern that compounds 5a and 5j can serve as the potential surrogate for design of novel and potent antibacterial agents. The results for the in vitro bioassays were promising with the identification of compounds 5a and 5j as the lead and selective candidate for RNA inhibition. Results of the docking computations further ascertained the inhibitory potential of compound 5a. Based on the in silico studies, it can be suggested that compounds 5a and 5j can serve as a structural model for the design of antibacterial agents with better inhibitory potential. Graphic abstract: Binding mode of compound 5j inside the active site of RNA in 3D space. 5j displayed highest antibacterial potential than the reference drug ampicillin with ZOI 10.50?mm against Staphylococcus aureus. 5j also displayed highest antifungal potential than the reference drug amphotericin B with ZOI 18.20?mm against Fusarium solani.[Figure not available: see fulltext.].
- Aziz, Hamid,Saeed, Aamer,Khan, Muhammad Aslam,Afridi, Shakeeb,Jabeen, Farukh
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p. 763 - 776
(2020/03/04)
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- Synthesis and Investigation of the Antibacterial Activity of New Tris-Thiourea Derivatives
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An efficient procedure for the preparation of symmetrical tris-thiourea derivatives (5a – 5h) by means of one-pot condensation reaction between available benzoyl chlorides (1a –1h) with potassium thiocyanate (2) and melamine (4) under reflux conditions is
- Ghorbani, Saghi Shiroud,Montazeri, Naser,Zeydi, Masoud Mohammadi,Ghane, Masood
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- Synthesis, crystal structure, spectral and electrochemical characterization, DNA binding and free radical scavenging studies of ferrocene-based thioureas
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Thioureas are important building blocks in medicinal chemistry; ferrocenes as highly hydrophobic moieties induce very interesting qualities in medicinal compounds. In this article, we have synthesized four ferrocene incorporated N,N′-disubstituted benzoyl
- Lal, Bhajan,Kanwal, Ammarah,Altaf, Ataf Ali,Badshah, Amin,Asghar, Faiza,Akhter, Sadia,Ullah, Shafiq,Khan, Syed Ishtiaq,Tahir, Muhammad Nawaz
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p. 2376 - 2392
(2019/08/26)
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- Synthesis, spectroscopic investigation, and DFT study of: N, N ′-disubstituted ferrocene-based thiourea complexes as potent anticancer agents
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In the present work, the synthesis, characterization (FT-IR, multinuclear (1H and 13C) NMR, AAS, Raman, and elemental analyses), DNA binding (cyclic voltammetry, UV-Vis spectroscopy), and in vitro biological screening of nine new fer
- Asghar, Faiza,Fatima, Saira,Rana, Sadaf,Badshah, Amin,Butler, Ian S.,Tahir, Muhammad Nawaz
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p. 1868 - 1878
(2018/02/17)
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- Synthesis, structural characterization and quantum chemical calculations on 1-(isomeric methylbenzoyl)-3-(4-trifluoromethylphenyl)thioureas
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The 1-(isomeric methylbenzoyl)-3-(4-trifluoromethylphenyl)thioureas (1–3) have been synthesized using the reaction of 2-methylbenzoyl isothiocyanate, 3-methylbenzoyl isothiocyanate and 4-methylbenzoyl isothiocyanate with 4-aminotrifluorotoluene in dry tet
- Qiao, Lei,Zhang, Yu,Hu, Wei,Guo, Jiajia,Cao, Wenli,Ding, Zimei,Guo, Zhiwei,Fan, An,Song, Jirong,Huang, Jie
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p. 309 - 321
(2017/04/10)
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- Synthesis and antitumor activity of novel N-benzoyl-N'-substituted pyrimidinyl (thio)semicarbazide derivatives
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A series of substituted pyrimidinyl (thio)semicarbazide derivatives were designed and synthesized. The antitumor results showed that the activity of thiosemicarbazide compounds (series II) was generally higher than that of the corresponding semicarbazide derivatives (series I). Among them, IIk displayed higher cytotoxicity against HL-60, BGC-823 and Bel-7402 than that of adriamycin and exhibited broad in vitro cytotoxicity against 13 human tumor cell lines. Meanwhile, the cytotoxic selectivity and anti-multidrug resistance were evaluated, and IIk exhibited selective cytotoxicity against cancer cells in comparison to human normal cells and had significant anti-multidrug resistance capability. The bioassay results showed that IIk showed great promise as a potent lead compound for further antitumor discovery.
- Song, Gaopeng,Li, Jianzuo,Tian, Hao,Li, Yasheng,Hu, Dekun,Li, Ying,Cui, Zining
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p. 329 - 334
(2016/04/04)
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- One-pot synthesis and crystal structure of N-acyl-N′-[1-(2,6- dichloro-4-trifluoromethyl)phenyl-3-cyano-1H-pyrazol-5-yl]thioureas
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Nine novel thiourea derivatives containing pyrazole rings have been prepared in good yields by the reaction of 5-amino-3-cyano-1-(2,6-dichloro-4- trifluoromethylphenyl)pyrazole with acylisothiocyanates, which were generated in situ by potassium thiocyanate and different acyl chlorides in one pot. N-Benzoyl-N′-[1-(2,6-dichloro-4-trifluoromethyl)phenyl-3-cyano-1H-pyrazol- 5-yl]thiourea was characterised by a single crystal X-ray diffraction study.
- Zhang, Xiaohong,He, Hui,Xu, Mei,Zhong, Ping
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experimental part
p. 323 - 325
(2011/10/02)
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- Synthesis and crystal structure of a compound with two conformational isomers: N-(2-methylbenzoyl)-N′-(4-nitrophenyl)thiourea
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The single crystal of the title compound (C15H 13N3O3S) with two conformational isomers was obtained from the solution of the title compound dissolved in the N,N-dimethylformamide (DMF) by slow evaporation at ro
- Li, Qian-Jin,Yang, Chun-Long
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body text
p. 927 - 930
(2009/04/07)
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- Synthesis and crystal structure of some novel 2-aroylimino-3-aryl-4-phenyl- 1,3-thiazolines
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An efficient synthesis of some novel 2-aroylimino-3-aryl-4-phenyl-1,3- thiazolines was carried out by base-catalyzed cyclization of 1-aroyl-3-arylthioureas with acetophenone in the presence of bromine. The structures were confirmed by spectroscopic data,
- Saeed, Aamer,Zaman, Sabah,Bolte, Michael
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p. 2185 - 2199
(2008/09/21)
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- Synthesis and bioactivity of some new 1-tolyl-3-aryl-4-methylimidazole-2- thiones
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Three series of new 1-(isomeric methyl)benzoyl-3-arylthioureas (1-3a-i) were prepared from 2-, 3-, and 4-methylbenzoyl chlorides via isothiocyanate formation followed by treatment with various substituted anilines. The base-catalyzed condensation of thiou
- Saeed, Aamer,Batool, Mahira
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p. 143 - 154
(2008/04/01)
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- Identification of potent and selective inhibitors of PDGF receptor autophosphorylation
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We report the structure-activity relationship of quinoline and quinazoline derivatives, which include urea, thiourea, urethane, and acylthiourea groups, as inhibitors of the platelet-derived growth factor (PDGF) receptor autophosphorylation. Our previous studies showed that the quinoline and quinazoline derivatives including urea, thiourea, and carbamate groups were highly potent compounds as the PDGF receptor autophosphorylation inhibitor, but these compounds did not exhibit receptor selectivity between the PDGF receptor and the c-kit receptor. As a result of further synthesis and biological evaluation, we have found that the quinoline and quinazoline-acylthiourea derivatives showed not only good inhibitory activity for the PDGF receptor but also receptor selectivity between the PDGF receptor and the c-kit receptor. Furthermore N-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N′-(2- methylbenzoyl)thiourea exhibited potent oral efficacy in in vivo assay using the rat carotid balloon injury model. Therefore, the quinoline and quinazoline-acylthiourea derivatives may be expected to have potential as therapeutic agents for the treatment of restenosis.
- Furuta, Takayuki,Sakai, Teruyuki,Senga, Terufumi,Osawa, Tatsushi,Kubo, Kazuo,Shimizu, Toshiyuki,Suzuki, Rika,Yoshino, Tetsuya,Endo, Megumi,Miwa, Atsushi
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p. 2186 - 2192
(2007/10/03)
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- A Convenient Synthesis of Tertiary Isothiocyanates and Acyl Isothiocyanates Using Phosphoryl Isothiocyanate.
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Phosphoryl iosthiocyanate, PO(NCS)3, reacts readily with tertiary alcohols and carboxylic acids, giving the respective tertiary isothiocyanates and acyl isothiocyanates in good yields and purity.
- Kniezo, Ladislav,Bernat, Juraj
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p. 509 - 513
(2007/10/02)
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