Environmentally benign synthesis, molecular properties prediction and anti-inflammatory activity of novel isoxazolo[5,4-d]isoxazol-3-yl-aryl-methanones via vinylogous Henry nitroaldol adducts as synthons

Design, Synthesis and Molecular Properties Prediction of Novel Quinazoline Derivatives as Potent Antibacterial Agents

“…The method used by molinspiration [29] is very robust and is based on the sum of fragment contributions and handles most of the organometallic and organic molecules. Present results ( Table-2) indicate that the quinazoline derivatives 3a-3n under study presented lipophilicities (log P) varied in the range of 0.94 to 2.21 suggesting their better permeability across cell membranes.…”

“…Tetrahydrofuran was distilled from sodium benzophenone ketyl and degassed thoroughly with dry argon directly before use. Unless otherwise noted, organic extracts were dried with anhydrous Na2SO4, filtered through a fitted glass funnel and concentrated with a rotary evaporator (20)(21)(22)(23)(24)(25)(26)(27)(28)(29)(30). Flash chromatography was performed with silica gel (200-300 mesh) by using the mobile phase indicated.…”

The synthetic and therapeutic expedition of isoxazole and its analogs

“…Owing to the diverse and potential pharmacological activities of the isoxazole ring, many researchers across the globe are engaged in the development of pharmacologically Analgesic and anti-inflammatory activity Rajanarendar et al (2015) synthesized some 6-methyl isoxazolo [5,4-d]isoxazol-3-yl aryl methanones, assessed them for molecular properties prediction, drug-likeness, lipophilicity and solubility parameters, evaluated for in vitro COX inhibitory activity and screened for anti-inflammatory activity using carrageenan induced paw edema method. The compounds with chloro or bromo substitutions on phenyl ring (1; Fig.…”

“…The chemistry of isoxazoles ( Fig. 1) has been an interesting field of study for decades because of their prominent potential as analgesic (Karthikeyan et al 2009), anti-inflammatory (Rajanarendar et al 2015;Banoglu et al 2016), anticancer (Kumbhare et al 2012;Tzanetou et al 2014), antimicrobial (Siddiqui et al 2013;Basha et al 2015), antiviral ), anticonvulsant (Frølund et al 2007), antidepressant (Yu et al 2012;Zhang et al 2016) and immunosuppressant . The literature survey revealed that the substitution of various groups on the isoxazole ring imparts different activity.…”

Synthesis and Antifungal Activity AgainstCandidaStrains of Mesoionic System Derived From 1,3-Thyazolium-5-thiolate

“…22 In this work, in silico study for Lipinski parameters was carried out using the OSIRIS Property Explorer software, 23 MolSoft Molecules in Silico 24 and ALOGPS 2.1 programs 25,26 in order to verify the theoretical oral bioavailability potential of mesoionic derivatives 7a-j. TPSA, %ABS, log S, drug likeness and drug score, representing the combined physicochemical, pharmacokinetic and pharmacodynamic effect, as well as lipophilicity, were also included.…”