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 …

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 …

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 …

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 …

[PDF][PDF] Synthesis, characterization, molecular docking and cytotoxicity evaluation of new thienyl chalcone derivatives against breast cancer cells

MM Alidmat, M Khairuddean, NNSNM Kamal… - Syst. Rev …, 2022 - researchgate.net
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 …

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 …

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 …

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 …

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 …

[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 …