Molecules, Vol. 27, Pages 668: In Silico Drug Repurposing Approach: Investigation of Mycobacterium tuberculosis FadD32 Targeted by FDA-Approved Drugs
Conclusions: Our study revealed accolate as the best potential drug against FadD32, hence a prospective anti-TB drug in TB therapy. In addition, we believe that the approach presented in the current study will serve as a cornerstone to identifying new potential inhibitors against a wide range of biological targets. (Source: Molecules)
Source: Molecules - January 20, 2022 Category: Chemistry Authors: Nolwazi Thobeka Portia Ngidi Kgothatso Eugene Machaba Ndumiso Nhlakanipho Mhlongo Tags: Article Source Type: research
Chronobiological activity of cysteinyl leukotriene receptor 1 during basal and induced autophagy in the ARPE-19 retinal pigment epithelial cell line
Aging (Albany NY). 2021 Dec 17;13(undefined). doi: 10.18632/aging.203787. Online ahead of print.ABSTRACTAutophagy is an important cellular mechanism for maintaining cellular homeostasis, and its impairment correlates highly with age and age-related diseases. Retinal pigment epithelial (RPE) cells of the eye represent a crucial model for studying autophagy, as RPE functions and integrity are highly dependent on an efficient autophagic process. Cysteinyl leukotriene receptor 1 (CysLTR1) acts in immunoregulation and cellular stress responses and is a potential regulator of basal and adaptive autophagy. As basal autophagy is a...
Source: Aging - December 17, 2021 Category: Biomedical Science Authors: Andreas Koller Julia Preishuber-Pfl ügl Christian Runge Anja-Maria Ladek Susanne Maria Brunner Ludwig Aigner Herbert Reitsamer Andrea Trost Source Type: research
Chronobiological activity of cysteinyl leukotriene receptor 1 during basal and induced autophagy in the ARPE-19 retinal pigment epithelial cell line
Aging (Albany NY). 2021 Dec 17;13(undefined). doi: 10.18632/aging.203787. Online ahead of print.ABSTRACTAutophagy is an important cellular mechanism for maintaining cellular homeostasis, and its impairment correlates highly with age and age-related diseases. Retinal pigment epithelial (RPE) cells of the eye represent a crucial model for studying autophagy, as RPE functions and integrity are highly dependent on an efficient autophagic process. Cysteinyl leukotriene receptor 1 (CysLTR1) acts in immunoregulation and cellular stress responses and is a potential regulator of basal and adaptive autophagy. As basal autophagy is a...
Source: Aging - December 17, 2021 Category: Biomedical Science Authors: Andreas Koller Julia Preishuber-Pfl ügl Christian Runge Anja-Maria Ladek Susanne Maria Brunner Ludwig Aigner Herbert Reitsamer Andrea Trost Source Type: research
Discovery of Zafirlukast as a novel SARS-CoV-2 helicase inhibitor using in silico modelling and a FRET-based assay
SAR QSAR Environ Res. 2021 Nov 25:1-21. doi: 10.1080/1062936X.2021.1993995. Online ahead of print.ABSTRACTThe coronavirus helicase is an essential enzyme required for viral replication/transcription pathways. Structural studies revealed a sulphate moiety that interacts with key residues within the nucleotide-binding site of the helicase. Compounds with a sulphoxide or a sulphone moiety could interfere with these interactions and consequently inhibit the enzyme. The molecular operating environment (MOE) was used to dock 189 sulphoxide and sulphone-containing FDA-approved compounds to the nucleotide-binding site. Zafirlukast...
Source: SAR and QSAR in Environmental Research - November 25, 2021 Category: Environmental Health Authors: N Mehyar A Mashhour I Islam H A Alhadrami A M Tolah B Alghanem S Alkhaldi B A Somaie M Al Ghobain Y Alobaida A S Alaskar M Boudjelal Source Type: research
Discovery of Zafirlukast as a novel SARS-CoV-2 helicase inhibitor using in silico modelling and a FRET-based assay
SAR QSAR Environ Res. 2021 Nov 25:1-21. doi: 10.1080/1062936X.2021.1993995. Online ahead of print.ABSTRACTThe coronavirus helicase is an essential enzyme required for viral replication/transcription pathways. Structural studies revealed a sulphate moiety that interacts with key residues within the nucleotide-binding site of the helicase. Compounds with a sulphoxide or a sulphone moiety could interfere with these interactions and consequently inhibit the enzyme. The molecular operating environment (MOE) was used to dock 189 sulphoxide and sulphone-containing FDA-approved compounds to the nucleotide-binding site. Zafirlukast...
Source: Cell Research - November 25, 2021 Category: Cytology Authors: N Mehyar A Mashhour I Islam H A Alhadrami A M Tolah B Alghanem S Alkhaldi B A Somaie M Al Ghobain Y Alobaida A S Alaskar M Boudjelal Source Type: research
Discovery of Zafirlukast as a novel SARS-CoV-2 helicase inhibitor using in silico modelling and a FRET-based assay
SAR QSAR Environ Res. 2021 Nov 25:1-21. doi: 10.1080/1062936X.2021.1993995. Online ahead of print.ABSTRACTThe coronavirus helicase is an essential enzyme required for viral replication/transcription pathways. Structural studies revealed a sulphate moiety that interacts with key residues within the nucleotide-binding site of the helicase. Compounds with a sulphoxide or a sulphone moiety could interfere with these interactions and consequently inhibit the enzyme. The molecular operating environment (MOE) was used to dock 189 sulphoxide and sulphone-containing FDA-approved compounds to the nucleotide-binding site. Zafirlukast...
Source: SAR and QSAR in Environmental Research - November 25, 2021 Category: Environmental Health Authors: N Mehyar A Mashhour I Islam H A Alhadrami A M Tolah B Alghanem S Alkhaldi B A Somaie M Al Ghobain Y Alobaida A S Alaskar M Boudjelal Source Type: research
Discovery of Zafirlukast as a novel SARS-CoV-2 helicase inhibitor using in silico modelling and a FRET-based assay
SAR QSAR Environ Res. 2021 Nov 25:1-21. doi: 10.1080/1062936X.2021.1993995. Online ahead of print.ABSTRACTThe coronavirus helicase is an essential enzyme required for viral replication/transcription pathways. Structural studies revealed a sulphate moiety that interacts with key residues within the nucleotide-binding site of the helicase. Compounds with a sulphoxide or a sulphone moiety could interfere with these interactions and consequently inhibit the enzyme. The molecular operating environment (MOE) was used to dock 189 sulphoxide and sulphone-containing FDA-approved compounds to the nucleotide-binding site. Zafirlukast...
Source: SAR and QSAR in Environmental Research - November 25, 2021 Category: Environmental Health Authors: N Mehyar A Mashhour I Islam H A Alhadrami A M Tolah B Alghanem S Alkhaldi B A Somaie M Al Ghobain Y Alobaida A S Alaskar M Boudjelal Source Type: research
Discovery of Zafirlukast as a novel SARS-CoV-2 helicase inhibitor using in silico modelling and a FRET-based assay
SAR QSAR Environ Res. 2021 Nov 25:1-21. doi: 10.1080/1062936X.2021.1993995. Online ahead of print.ABSTRACTThe coronavirus helicase is an essential enzyme required for viral replication/transcription pathways. Structural studies revealed a sulphate moiety that interacts with key residues within the nucleotide-binding site of the helicase. Compounds with a sulphoxide or a sulphone moiety could interfere with these interactions and consequently inhibit the enzyme. The molecular operating environment (MOE) was used to dock 189 sulphoxide and sulphone-containing FDA-approved compounds to the nucleotide-binding site. Zafirlukast...
Source: SAR and QSAR in Environmental Research - November 25, 2021 Category: Environmental Health Authors: N Mehyar A Mashhour I Islam H A Alhadrami A M Tolah B Alghanem S Alkhaldi B A Somaie M Al Ghobain Y Alobaida A S Alaskar M Boudjelal Source Type: research
Discovery of Zafirlukast as a novel SARS-CoV-2 helicase inhibitor using in silico modelling and a FRET-based assay
SAR QSAR Environ Res. 2021 Nov 25:1-21. doi: 10.1080/1062936X.2021.1993995. Online ahead of print.ABSTRACTThe coronavirus helicase is an essential enzyme required for viral replication/transcription pathways. Structural studies revealed a sulphate moiety that interacts with key residues within the nucleotide-binding site of the helicase. Compounds with a sulphoxide or a sulphone moiety could interfere with these interactions and consequently inhibit the enzyme. The molecular operating environment (MOE) was used to dock 189 sulphoxide and sulphone-containing FDA-approved compounds to the nucleotide-binding site. Zafirlukast...
Source: SAR and QSAR in Environmental Research - November 25, 2021 Category: Environmental Health Authors: N Mehyar A Mashhour I Islam H A Alhadrami A M Tolah B Alghanem S Alkhaldi B A Somaie M Al Ghobain Y Alobaida A S Alaskar M Boudjelal Source Type: research
Effects of Oral Zafirlukast, Sildenafil, or Pirfenidone on the Formation of Postsurgical Intra-abdominal Adhesions in an Experimental Rat Model.
This study aimed to evaluate the efficacy of oral Zafirlukast, Sildenafil or Pirfenidone treatment on reducing or preventing intra-abdominal adhesions in an experimental rat model. Methods: Four groups, each of 10 male Wistar rats weighing 250 –300 g, were used. A midline laparotomy was used to excise an area of 1.5´1.5cm and reconstructed with polypropylene mesh fixed to the abdominal wall. After 12 h, oral doses of Zafirlukast (1.25 mg/kg, group B), Sildenafil (15 mg/kg, group C), or Pirfenidone (500 mg/kg, group D) were given every day for eight days. The control group, A, received no treatment. At day nine, animals ...
Source: European Surgical Research - November 24, 2021 Category: Surgery Source Type: research
Leukotrienes Are Dispensable for Vaginal Neutrophil Recruitment as Part of the Immunopathological Response During Experimental Vulvovaginal Candidiasis
Recruitment of polymorphonuclear neutrophils (PMNs) into the vaginal lumen is the hallmark of an acute immunopathologic inflammatory response during vulvovaginal candidiasis (VVC) caused by Candida albicans. Recurrent VVC (RVVC) remains a chronic health burden in affected women worldwide despite the use of antifungal therapy. Based on the role leukotrienes (LTs) play in promoting inflammation, leukotriene receptor antagonists (LTRAs) targeted for LTB4 (etalocib) or LTC4, LTD4, and LTE4 (zafirlukast or montelukast) have been shown to reduce inflammation of epithelial tissues. An open-label pilot study using long-term regime...
Source: Frontiers in Microbiology - November 17, 2021 Category: Microbiology Source Type: research
Synthesis of Indole/Benzofuran-Containing Diarylmethanes through Palladium-Catalyzed Reaction of Indolylmethyl or Benzofuranylmethyl Acetates with Boronic Acids
Synthesis DOI: 10.1055/s-0041-1737275 The palladium-catalyzed synthesis of indole/benzofuran-containing diarylmethanes starting from indolylmethyl or benzofuranylmethyl acetates with boronic acids has been investigated. The success of the reaction is influenced by the choice of precatalyst: with indolylmethyl acetates the reaction works well with [Pd(η3-C3H5)Cl]2/XPhos while with benzofuranylmethyl acetates Pd2(dba)3/XPhos is more efficient. The good to high yields and the simplicity of the experimental procedure make this protocol a versatile synthetic tool for the preparation of 2- and 3-substituted indoles and 2-benzo[...
Source: Synthesis - November 11, 2021 Category: Chemistry Authors: Arcadi, Antonio Calcaterra, Andrea Chiarini, Marco Fabrizi, Giancarlo Fochetti, Andrea Goggiamani, Antonella Iazzetti, Antonia Marrone, Federico Marsicano, Vincenzo Serraiocco, Andrea Tags: paper Source Type: research
