Synthesis, crystal structure, DFT study, in vitro and in silico molecular docking of novel bis (aroyl selenourea) derivatives
M Musthafa, KN Aneesrahman, B Perumalsamy… - Journal of Molecular …, 2019 - Elsevier
A new family of o-phenylenediamine substituted bis (aroyl selenourea) 1–3 were
synthesised and characterised by spectroscopic methods and Single crystal XRD studies …
synthesised and characterised by spectroscopic methods and Single crystal XRD studies …
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 …
Computational and molecular docking studies of new benzene sulfonamide drugs with anticancer and antioxidant effects
HS Mohamed, MA Abdelgawad… - Current Organic …, 2023 - ingentaconnect.com
Background: The studies on the potential usage of benzene sulfonamide derivatives as
anticancer agents are limited. benzene sulfonamide derivatives are currently used as …
anticancer agents are limited. benzene sulfonamide derivatives are currently used as …
Synthesis and anticancer activity of bis-benzo [d][1, 3] dioxol-5-yl thiourea derivatives with molecular docking study
RAK Al-Harbi, MAMS El-Sharief, SY Abbas - Bioorganic Chemistry, 2019 - Elsevier
New thiourea derivatives incorporating two benzo [d][1, 3] dioxol-5-yl moieties have been
synthesized through the reaction of two molecules of benzo [d][1, 3] dioxol-5-yl …
synthesized through the reaction of two molecules of benzo [d][1, 3] dioxol-5-yl …
[PDF][PDF] Synthesis, characterization, molecular docking and cytotoxicity evaluation of new thienyl chalcone derivatives against breast cancer cells
Breast cancer is women's most prevalent cancer type. The development of chemotherapy
drug resistance and adverse effects is a significant barrier to breast cancer treatment …
drug resistance and adverse effects is a significant barrier to breast cancer treatment …
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 …
Design, synthesis and evaluation of 5-chloro-6-methylaurone derivatives as potential anti-cancer agents
MS Lone, SA Nabi, FR Wani, M Garg… - Journal of …, 2023 - Taylor & Francis
A series of novel 5-chloro-6-methylaurone derivatives (6a-p) were synthesized and
characterized by various spectroscopic techniques. The synthesized compounds were …
characterized by various spectroscopic techniques. The synthesized compounds were …
Design, synthesis, anticancer evaluation, molecular docking, and in silico ADME analysis of novel chalcones incorporated indole-pyrimidine derivatives as promising …
R Boddiboyena, GN Reddy, N Seelam, M Sarma… - Chemical Data …, 2022 - Elsevier
A novel library of aryl rings attached chalcone derivatives of indole-pyrimidines (10a-j) were
designed, synthesized, and evaluated for anticancer activities against four human cancer …
designed, synthesized, and evaluated for anticancer activities against four human cancer …
Exploring Novel Benzene Sulfonamide Derivatives: Synthesis, ADME Studies, Anti-Proliferative Activity, Docking Simulation, and Emphasizing Theoretical …
AM Fahim - Journal of the Indian Chemical Society, 2024 - Elsevier
In this investigation, we elucidated the different heterocyclic containing
benzenesulphonamide utilizing Microwave irradiation as a green energy source. Firstly the …
benzenesulphonamide utilizing Microwave irradiation as a green energy source. Firstly the …
[HTML][HTML] Design, Synthesis, anticancer evaluation and in silico studies of 2, 4, 6-trimethoxychalcone derivatives
T Li, W Li, X Yang, G Chen, X Jin, W Chen… - Saudi Pharmaceutical …, 2023 - Elsevier
Chalcone, a common chemical scaffold of many naturally occurring compounds, has been
widely used as an effective template for drug discovery due to its broad biological activities …
widely used as an effective template for drug discovery due to its broad biological activities …