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11 results on '"Shafiei, Roya"'

2. Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections

Author

Konstantinović, Jelena, primary, Kany, Andreas M., additional, Alhayek, Alaa, additional, Abdelsamie, Ahmed S., additional, Sikandar, Asfandyar, additional, Voos, Katrin, additional, Yao, Yiwen, additional, Andreas, Anastasia, additional, Shafiei, Roya, additional, Loretz, Brigitta, additional, Schönauer, Esther, additional, Bals, Robert, additional, Brandstetter, Hans, additional, Hartmann, Rolf W., additional, Ducho, Christian, additional, Lehr, Claus-Michael, additional, Beisswenger, Christoph, additional, Müller, Rolf, additional, Rox, Katharina, additional, Haupenthal, Jörg, additional, and Hirsch, Anna K.H., additional

Published
2023
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3. Clean Synthetic Strategies to Biologically Active Molecules from Lignin: A Green Path to Drug Discovery

Author

Afanasenko, Anastasiia M., primary, Wu, Xianyuan, additional, De Santi, Alessandra, additional, Elgaher, Walid A. M., additional, Kany, Andreas M., additional, Shafiei, Roya, additional, Schulze, Marie-Sophie, additional, Schulz, Thomas F., additional, Haupenthal, Jörg, additional, Hirsch, Anna K. H., additional, and Barta, Katalin, additional

Published
2023
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4. Clean Synthetic Strategies to Biologically Active Molecules from Lignin: A Green Path to Drug Discovery**.

Author

Afanasenko, Anastasiia M., Wu, Xianyuan, De Santi, Alessandra, Elgaher, Walid A. M., Kany, Andreas M., Shafiei, Roya, Schulze, Marie‐Sophie, Schulz, Thomas F., Haupenthal, Jörg, Hirsch, Anna K. H., and Barta, Katalin

Subjects
LIGNIN structure, MOLECULES, LIGNANS, LIGNINS, STREPTOCOCCUS pneumoniae, PLASMA stability, QUINAZOLINONES, RENEWABLE natural resources
Abstract

Deriving active pharmaceutical agents from renewable resources is crucial to increasing the economic feasibility of modern biorefineries and promises to alleviate critical supply‐chain dependencies in pharma manufacturing. Our multidisciplinary approach combines research in lignin‐first biorefining, sustainable catalysis, and alternative solvents with bioactivity screening, an in vivo efficacy study, and a structural‐similarity search. The resulting sustainable path to novel anti‐infective, anti‐inflammatory, and anticancer molecules enabled the rapid identification of frontrunners for key therapeutic indications, including an anti‐infective against the priority pathogen Streptococcus pneumoniae with efficacy in vivo and promising plasma and metabolic stability. Our catalytic methods provided straightforward access, inspired by the innate structural features of lignin, to synthetically challenging biologically active molecules with the core structure of dopamine, namely, tetrahydroisoquinolines, quinazolinones, 3‐arylindoles and the natural product tetrahydropapaveroline. Our diverse array of atom‐economic transformations produces only harmless side products and uses benign reaction media, such as tunable deep eutectic solvents for modulating reactivity in challenging cyclization steps. [ABSTRACT FROM AUTHOR]

Published
2024
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5. Structure-Based Design of α-Substituted Mercaptoacetamides as Inhibitors of the Virulence Factor LasB from Pseudomonas aeruginosa

Author

Kaya, Cansu, Walter, Isabell, Alhayek, Alaa, Shafiei, Roya, Jézéquel, Gwenaëlle, Andreas, Anastasia, Konstantinović, Jelena, Schönauer, Esther, Sikandar, Asfandyar, Haupenthal, Jörg, Müller, Rolf, Brandstetter, Hans, Hartmann, Rolf W., and Hirsch, Anna K. H.

Subjects
heterocycles, antibiotic resistance, virulence factors, mercaptoacetamides, LasB, structure-based design
Published
2023
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6. Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosaLung Infections

Author

Konstantinović, Jelena, Kany, Andreas M., Alhayek, Alaa, Abdelsamie, Ahmed S., Sikandar, Asfandyar, Voos, Katrin, Yao, Yiwen, Andreas, Anastasia, Shafiei, Roya, Loretz, Brigitta, Schönauer, Esther, Bals, Robert, Brandstetter, Hans, Hartmann, Rolf W., Ducho, Christian, Lehr, Claus-Michael, Beisswenger, Christoph, Müller, Rolf, Rox, Katharina, Haupenthal, Jörg, and Hirsch, Anna K.H.

Abstract

Infections caused by the Gram-negative pathogen Pseudomonas aeruginosaare emerging worldwide as a major threat to human health. Conventional antibiotic monotherapy suffers from rapid resistance development, underlining urgent need for novel treatment concepts. Here, we report on a nontraditional approach to combat P. aeruginosa-derived infections by targeting its main virulence factor, the elastase LasB. We discovered a new chemical class of phosphonates with an outstanding in vitroADMET and PK profile, auspicious activity both in vitroand in vivo. We established the mode of action through a cocrystal structure of our lead compound with LasB and in several in vitroand ex vivomodels. The proof of concept of a combination of our pathoblocker with levofloxacin in a murine neutropenic lung infection model and the reduction of LasB protein levels in blood as a proof of target engagement demonstrate the great potential for use as an adjunctive treatment of lung infections in humans.

Published
2023
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7. Clean synthetic strategies to dopamine-based biologically active molecules from lignin: A green path to drug discovery

Author

Afanasenko, Anastasiia, primary, Wu, Xianyuan, additional, DeSanti, Alessandra, additional, Elgaher, Walid, additional, Kany, Andreas M., additional, Shafiei, Roya, additional, Schulze, Marie-Sophie, additional, Schulz, Thomas, additional, Haupenthal, Jörg, additional, Hirsch, Anna K. H., additional, and Barta, Katalin, additional

Published
2022
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9. Structure-Based Design of α-Substituted Mercaptoacetamides as Inhibitors of the Virulence Factor LasB from Pseudomonas aeruginosa

Author

Kaya, Cansu, primary, Walter, Isabell, additional, Alhayek, Alaa, additional, Shafiei, Roya, additional, Jézéquel, Gwenaëlle, additional, Andreas, Anastasia, additional, Konstantinović, Jelena, additional, Schönauer, Esther, additional, Sikandar, Asfandyar, additional, Haupenthal, Jörg, additional, Müller, Rolf, additional, Brandstetter, Hans, additional, Hartmann, Rolf W., additional, and Hirsch, Anna K.H., additional

Published
2022
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10. Inhibition of Collagenase Q1 of Bacillus cereus as a Novel Antivirulence Strategy for the Treatment of Skin‐Wound Infections

Author

Alhayek, Alaa, primary, Khan, Essak S., additional, Schönauer, Esther, additional, Däinghaus, Tobias, additional, Shafiei, Roya, additional, Voos, Katrin, additional, Han, Mitchell K. L., additional, Ducho, Christian, additional, Posselt, Gernot, additional, Wessler, Silja, additional, Brandstetter, Hans, additional, Haupenthal, Jörg, additional, del Campo, Aránzazu, additional, and Hirsch, Anna K. H., additional

Published
2022
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11. Validity of self-reported height, weight, body mass index, and waist circumference in iranian adults

Author

Aminianfar, Azadeh, Saneei, Parvane, Nouri, Maryam, Shafiei, Roya, Hassanzadeh-Keshteli, Ammar, Esmaillzadeh, Ahmad, and Adibi, Peyman

Subjects
validity, anthropometry, adult, Medicine, Original Article, self-reported, iran
Abstract

Context: The validity of self-reported anthropometric indices has been examined in previous studies in different populations. Aims: The aim of our study was to evaluate the validity of self-reported height, weight, body mass index (BMI), and waist circumference (WC) for the first time in middle-age staffs of Isfahan University of Medical Sciences. Settings and Design: In this cross-sectional study, a total of 171 men and women were selected from staffs of Isfahan University of Medical Sciences, Isfahan, Iran. Methods and Materials: Technician- and self-reported measurements of height, weight, and WC were collected from all participants. BMI was calculated by dividing weight in kg by height in meters squared. Overweight and obesity were defined as BMI ≥25

Published
2021

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