Journal ArticleDOI
In vitro cytotoxic activity of thiazole-indenoquinoxaline hybrids as apoptotic agents, design, synthesis, physicochemical and pharmacokinetic studies.
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TLDR
Investigation of the IC50 values on normal human cells indicated that, indeno[1,2-b]quinoxalin-11-one derivatives are highly selective in their cytotoxic effect, and in silico evaluation of ADME properties indicated that all the potent compounds are orally bioavailable with no permeation to the blood brain barrier.About:
This article is published in Bioorganic Chemistry.The article was published on 2020-07-01. It has received 38 citations till now. The article focuses on the topics: Cell cycle checkpoint & Cytotoxic T cell.read more
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Design, synthesis, antiproliferative evaluation, and molecular docking study of new quinoxaline derivatives as apoptotic inducers and EGFR inhibitors
Eman A. Fayed,Yousry A. Ammar,Marwa A. Saleh,Ashraf H. Bayoumi,Amany Belal,Amany Belal,Ahmed B.M. Mehany,Ahmed Ragab +7 more
TL;DR: A new series of quinoxaline derivatives synthesized and pharmacologically evaluated against (HepG-2, HCT-116, and MCF-7) cell lines and revealed that it increases apoptotic cells and induced cell cycle arrest at pre-G1 and G2/M phases.
Journal ArticleDOI
Design, synthesis, antimicrobial activity and molecular docking studies of some novel di-substituted sulfonylquinoxaline derivatives.
Yousry A. Ammar,Awatef A. Farag,Abeer M. Ali,Ahmed Ragab,Ahmed A. Askar,Doaa M. Elsisi,Amany Belal +6 more
TL;DR: Molecular docking studies of the promising derivatives into DNA Gyrase binding site proved the usefulness of hybridizing quinoxaline scaffold with SO2 and morpholine moieties as a hopeful strategy in designing new DNA Gyrsase binding molecules.
Journal ArticleDOI
Hydrazonoyl bromide precursors as DHFR inhibitors for the synthesis of bis-thiazolyl pyrazole derivatives; antimicrobial activities, antibiofilm, and drug combination studies against MRSA.
TL;DR: In this article, a series of new bis-thiazolyl-pyrazole derivatives 3, 4a-c, 5a, b, and 6a -c was synthesized by reacting bis hydrazonoyl bromide with several active methylene reagents in a one-pot reaction.
Journal ArticleDOI
Sulfaguanidine Hybrid with Some New Pyridine-2-One Derivatives: Design, Synthesis, and Antimicrobial Activity against Multidrug-Resistant Bacteria as Dual DNA Gyrase and DHFR Inhibitors.
Ahmed Ragab,Sawsan A. Fouad,Ola A. Abu Ali,Entsar M. Ahmed,Abeer M. Ali,Ahmed A. Askar,Yousry A. Ammar +6 more
TL;DR: In this article, a series of hybrid sulfaguanidine moieties, bearing 2-cyanoacrylamide 2a-d, pyridine-2-one 3-10, and 2-imino-2H-chromene-3-carboxamide 11, 12 derivatives, were synthesized, and their structure confirmed by spectral data and elemental analysis.
Journal ArticleDOI
Novel adamantane-pyrazole and hydrazone hybridized: Design, synthesis, cytotoxic evaluation, SAR study and molecular docking simulation as carbonic anhydrase inhibitors
TL;DR: A series of pyrazole derivatives 4, 5, 6, 12, 13, 14 as well as hydrazone derivatives 7, 10, 11 were synthesized starting from adamantane-1-carbohydrazide as the bioactive core.
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SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
TL;DR: The new SwissADME web tool is presented that gives free access to a pool of fast yet robust predictive models for physicochemical properties, pharmacokinetics, drug-likeness and medicinal chemistry friendliness, among which in-house proficient methods such as the BOILED-Egg, iLOGP and Bioavailability Radar are presented.
Book
Drug-Like Properties: Concepts, Structure Design and Methods from ADME to Toxicity Optimization
Edward H. Kerns,Li Di +1 more
TL;DR: Practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance are provided.
Journal ArticleDOI
Rate-limited steps of human oral absorption and QSAR studies.
Yuan H. Zhao,Michael H. Abraham,Joelle Le,Anne Hersey,Christopher N. Luscombe,Gordon Beck,Brad Sherborne,Ian Cooper +7 more
TL;DR: A nonlinear absorption model derived from first-order kinetics has been developed to identify the relationship between percentage of drug absorption and molecular descriptors and good relationships were found between absorption and Abraham descriptors or ClogP.
Journal ArticleDOI
Broad targeting of resistance to apoptosis in cancer.
Ramzi M. Mohammad,Irfana Muqbil,Leroy Lowe,Clement G. Yedjou,Hsue-Yin Hsu,Liang Tzung Lin,Markus D. Siegelin,Carmela Fimognari,Nagi B. Kumar,Q. Ping Dou,Huanjie Yang,Abbas Samadi,Gian Luigi Russo,Carmela Spagnuolo,Swapan K. Ray,Mrinmay Chakrabarti,James D. Morre,Helen M. Coley,Kanya Honoki,Hiromasa Fujii,Alexandros G. Georgakilas,Amedeo Amedei,Elena Niccolai,Amr Amin,S. Salman Ashraf,William G. Helferich,Xujuan Yang,Chandra S. Boosani,Gunjan Guha,Dipita Bhakta,Maria Rosa Ciriolo,Katia Aquilano,Sophie Chen,Sulma I. Mohammed,W. Nicol Keith,Alan Bilsland,Dorota Halicka,Somaira Nowsheen,Asfar S. Azmi +38 more
TL;DR: This review provides a roadmap for the design of successful anti-cancer strategies that overcome resistance to apoptosis for better therapeutic outcome in patients with cancer.
Journal ArticleDOI
Molecular biology of Bax and Bak activation and action
TL;DR: How Bax and Bak change conformation and oligomerize, as well as how oligomers might form a pore is reviewed, which indicates that they first form symmetric BH3:groove dimers which can be linked via an interface between the α6-helices to form high order oligomers.