Results 71 to 80 of about 10,523 (171)

Synthesis and characterization of selected new thiazolidine-2,4-diones derivatives: SwissADME and density-functional-theory analysis

Scientific Reports
The synthesis of novel thiazolidine-2,4-dione derivatives, their pharmacokinetic profile, and their structural features for drug-like potential are all covered in the current work.
Bushra Ansari, Muhammad Saeed Jan, Abdul Saboor Pirzada, Ali Khan, Aini Pervaiz, Khalaf F. Alsharif, Maria Daglia, Ahmed A. Elhenawy, Haroon Khan   +8 more
doaj   +1 more source

Antimicrobial Activity and In Silico ADME Properties of Tyrosol and Their Derivatives Compounds

ChemistrySelect, Volume 11, Issue 41, 3 November 2026.
In the present study, tyrosol derivatives were obtained with the aim of improving their antimicrobial activity. Derivative 2 exhibited good antimicrobial activity, with an MIC of 3.9 µg/mL. Derivative 3, meanwhile, showed moderate activity and is novel in the literature. ABSTRACT According to the World Health Organization (WHO), bacterial resistance is
Kathia Raquel Murillo Padilla, Rayanne Priscila Vieira da Conceição, José Edson de Sousa Siqueira, Luana Cardoso de Oliveira, Mayra Suelen da Silva Pinheiro, Patrícia Santana Barbosa Marinho, Andrey Moacir do Rosario Marinho   +6 more
wiley   +1 more source

Physiochemical properties of Cinnamyl acetate and benzyl benzoate predicted by SwissADME and ADMETlab.

Physiochemical properties of Cinnamyl acetate and benzyl benzoate predicted by SwissADME and ADMETlab.
Khursheed Muzammil (12289621), Muhammad Farhan Sarwar (18137093), Afnan Zahra (18137096), Mudassar Fareed Awan (17708152), Muhammad Shafiq (2623198), Sajed Ali (12493180)   +5 more
core   +1 more source

S1 Data -

, 2021
Table A. Differently modulated host genes for CHIKV-IS classified in to different metabolic pathways. Table B. Bioavailability prediction of CMPD1 through the SWISSADME web tool. Table C. Disease scoring of CHIKV infected and drug treated mice.
Saikat De (10881295), Sharad Singh (11021034), Amrita Ray (28984), Sanchari Chatterjee (6583154), Prabhudutta Mamidi (510929), Eshna Laha (11707137), Ankita Datey (9671417), Tapas Kumar Nayak (6583142), Soumyajit Ghosh (1552036), Soma Chattopadhyay (510935), Supriya Suman Keshry (11707134), Abhishek Kumar (156479), Subhasis Chattopadhyay (311043), Sameer Kumar (510932)   +13 more
core   +1 more source

Decoupling Photophysical Brightness and Cellular Imaging Efficiency in 4‐ANI‐Based Fluorophores: The Critical Role of Sterically Hindered N‐Substituents

ChemBioChem, Volume 27, Issue 19, 14 October 2026.
A screening of twenty‐one 4‐ANI fluorophores led to the identification of an N‐cycloheptylamine derivative with >10‐fold enhanced cellular fluorescence, enabling submicromolar imaging with minimal cell perturbation. Integrated photophysics, microscopy, flow cytometry, and DFT reveal that sterically hindered N‐substituents optimize uptake and solubility.
Laurane Michel, Sophia Godel‐Pastre, Narjis Ouazzani, Mélina Fabe, Siham El Mounquad, Mickaël Bourge, Stéphanie Deville‐Foillard, Arnaud Chevalier   +7 more
wiley   +1 more source

Molecular docking and pharmacokinetics of benzimidazole-based FtsZ inhibitors for tuberculosis

Scientific Reports
Benzimidazole derivatives are privileged heterocyclic scaffolds with broad-spectrum pharmacological activities, notably antitubercular and antibacterial.
Pratiksha N. Sonwane, Manoj R. Kumbhare
doaj   +1 more source

Diethylene Glycol‐Linked Ring‐Fused Bis‐Azoles: Target‐Oriented Synthesis, In Silico Screening, and Antitumor Activity

ChemMedChem, Volume 21, Issue 19, 14 October 2026.
A series of diethylene glycol‐linked cyclic derivatives with diversity in the heterocyclic motif have been synthesized and screened for antitumor activity. Two bis‐thiazolo[3,2‐a]pyrimidinone derivatives displayed moderate cytotoxicity, high selectivity against hepatocellular carcinoma cells, promising VEGFR2, and remarkable FGFR2 inhibitory activities
Sami A. Al‐Hussain, Abdulrahman S. Alharbi, Zeinab A. Muhammad, Alyaa S. Abdel Halim, Magdi E. A. Zaki, Mark C. Bagley, Refaie M. Kassab   +6 more
wiley   +1 more source

CB-Dock energy, physicochemical, pharmacokinetics, and medicinal chemistry properties prediction of the molecules obtained from virtual screening using CB-Dock and SwissADME servers.

CB-Dock energy, physicochemical, pharmacokinetics, and medicinal chemistry properties prediction of the molecules obtained from virtual screening using CB-Dock and SwissADME servers.
Asifullah Khan (5901902), Abbas Ahmad (16517912), Yasir Ali (799969), Zhongjie Han (5793275), Sara Aiman (9090834), Muneeba Aslam (5901896), Jilong Zhang (2294710), Qurrat ul Ain Farooq (16698860), Chunhua Li (18618)   +8 more
core   +1 more source

Adme Properties Prediction of 5-phenyl-5,6-dihydrotetrazolo[1,5-c] Quinazolines [PDF]

, 2022
Due to the recent predicted affinity of 13 novel 5-phenyl-5,6-dihydrotetrazolo[1,5-c]-quinazolines to the ribosomal 50S protein L2P (2QEX) by molecular docking, their ADME properties were calculated at the site SwissADME to predict their drug-likeness ...
Kalnysh, D. (Dar’ya), Antypenko, L. (Lyudmyla), Kovalenko, S. (Sergiy), Antypenko, O. (Oleksii)   +3 more
core  

Synthesis of Thiazolidin-4-Ones Derivatives, Evaluation of Conformation in Solution, Theoretical Isomerization Reaction Paths and Discovery of Potential Biological Targets

Molecules
Thiazolin-4-ones and their derivatives represent important heterocyclic scaffolds with various applications in medicinal chemistry. For that reason, the synthesis of two 5-substituted thiazolidin-4-one derivatives was performed.
Nikitas Georgiou, Danai Karta, Antigoni Cheilari, Franci Merzel, Demeter Tzeli, Stamatia Vassiliou, Thomas Mavromoustakos   +6 more
doaj   +1 more source