Novel thiourea derivative compounds: Thermal behavior, biological evaluation, Hirshfeld surfaces and frontier orbitals analyses, in silico ADMET profiling and …
T Yeşilkaynak, FN Özkömeç, M Çeşme… - Journal of Molecular …, 2023 - Elsevier
This work reports synthesis and structural characterization of N-(allylcarbamothioyl)-2-
chlorobenzamide (HL 1, C 11 H 11 ClN 2 OS) and N-(allylcarbamothioyl)-2 …
chlorobenzamide (HL 1, C 11 H 11 ClN 2 OS) and N-(allylcarbamothioyl)-2 …
Synthesis of new thiourea derivatives and metal complexes: Thermal behavior, biological evaluation, in silico ADMET profiling and molecular docking studies
T Yeşilkaynak, FN Özkömeç, M Çeşme… - Journal of Molecular …, 2022 - Elsevier
Abstract In this work, N-((5-bromopyridin-2-yl) carbamothioyl)-2-chlorobenzamide (HL 1)
and N-((5-bromopyridin-2-yl) carbamothioyl) furan-2-carboxamide (HL 2) and its Cu, Ni and …
and N-((5-bromopyridin-2-yl) carbamothioyl) furan-2-carboxamide (HL 2) and its Cu, Ni and …
Theoretical investigation of structure, anticancer activity and molecular docking of thiourea derivatives
G Kirishnamaline, JD Magdaline… - Journal of Molecular …, 2021 - Elsevier
Quantum chemical computations and in silico biological evaluation of three substituted
thiourea derivatives namely (4-nitrophenyl) thiourea (NPT),(3, 5-dimethylphenyl) thiourea …
thiourea derivatives namely (4-nitrophenyl) thiourea (NPT),(3, 5-dimethylphenyl) thiourea …
[PDF][PDF] Synthesis of new thiourea derivatives and metal complexes: Thermal behavior, biological evaluation, in silico ADMET profiling and molecular docking studies
T Yesilkaynak, FN Özkömeç, M Çesme… - Journal of Molecular …, 2022 - bap.ksu.edu.tr
Coordination compounds are of great importance due to their wide usage areas and hence
much effort is devoted to developing new coordination compounds. To this end many …
much effort is devoted to developing new coordination compounds. To this end many …
Synthesis, structures, drug-likeness, in vitro evaluation and in silico docking on novel N-benzoyl-N′-phenyl thiourea derivatives
Y Zhang, X Zhang, L Qiao, Z Ding, X Hang… - Journal of Molecular …, 2019 - Elsevier
In this paper, we have synthesized a series of N-benzoyl-N′-phenyl thiourea derivatives
and characterized them by FTIR, elemental analysis, NMR, and X-ray single crystal …
and characterized them by FTIR, elemental analysis, NMR, and X-ray single crystal …
Synthesis, molecular docking, and biological evaluation of a new series of benzothiazinones and their benzothiazinyl acetate derivatives as anticancer agents against …
F Ramzan, SA Nabi, MS Lone, K Imtiyaz, L Urooj… - ACS …, 2023 - ACS Publications
Six 1, 4-benzothiazin-3-ones (2a–f) and four benzothiazinyl acetate derivatives (3a–d) were
synthesized and characterized by various spectroscopic methods, namely, 1H NMR, 13C …
synthesized and characterized by various spectroscopic methods, namely, 1H NMR, 13C …
N-{2-[(2-chlorothieno [3, 2-d] pyrimidin-4-yl) amino] ethyl}-3-methoxybenzamide: design, synthesis, crystal structure, antiproliferative activity, DFT, Hirshfeld surface …
P Huang, J Zhao, YH Gao, LX Jin, Q Wang… - Journal of …, 2022 - Taylor & Francis
Abstract The compound N-{2-[(2-chlorothieno [3, 2-d] pyrimidin-4-yl) amino] ethyl}-3-
methoxybenzamide (8) was synthesized by the condensation of 3-methoxybenzoic acid (7) …
methoxybenzamide (8) was synthesized by the condensation of 3-methoxybenzoic acid (7) …
New N-allylthiourea derivatives: synthesis, molecular docking and in vitro cytotoxicity studies
T Widiandani, S Siswandono, E Meiyanto… - Tropical Journal of …, 2018 - ajol.info
Purpose: To synthesise derivatives of N-allylthiourea and evaluate their anticancer activities
against epidermal growth factor receptor (EGFR) using in silico and in vitro methods …
against epidermal growth factor receptor (EGFR) using in silico and in vitro methods …
Synthesis, structure–activity relationship studies using density functional theory and in silico molecular docking on substituted benzohydrazide derivatives
The present study demonstrates the utility of benzohydrazide derivatives based on an
approach to identify potential targets for a series of synthesized compounds that show potent …
approach to identify potential targets for a series of synthesized compounds that show potent …
Synthesis of naphthalimide derivatives bearing benzothiazole and thiazole moieties: In vitro anticancer and in silico ADMET study
PD JawalePatil, K Bhamidipati, MG Damale… - Journal of Molecular …, 2022 - Elsevier
Herein, we report the synthesis and characterization of 1–16 new naphthalimide derivatives.
These compounds 1–16 were tested for their anticancer activity against cancerous cells …
These compounds 1–16 were tested for their anticancer activity against cancerous cells …
相关搜索
- thermal behavior admet profiling
- thermal behavior biological evaluation
- biological evaluation admet profiling
- thermal behavior thiourea derivatives
- thiourea derivatives admet profiling
- thiourea derivatives biological evaluation
- metal complexes admet profiling
- thiourea derivatives metal complexes
- thermal behavior metal complexes
- biological evaluation metal complexes
- thermal behavior hirshfeld surfaces
- hirshfeld surfaces admet profiling
- hirshfeld surfaces frontier orbitals
- thiourea derivatives silico docking
- thermal behavior frontier orbitals
- hirshfeld surfaces biological evaluation