نتائج البحث

Enhancing the activity and succinyl-CoA specificity of 3-ketoacyl-CoA thiolase Tfu_0875 through rational binding pocket engineering.

• Authors : Liu L; National Engineering Research Center of Cereal Fermentation and Food Biomanufacturing, Jiangnan University, 1800 Lihu Road, Wuxi, Jiangsu, 214122, China.; Jiangsu Provincial Research Center for Bioactive Product Processing Technology, Jiangnan University, 1800 Lihu Road, Wuxi, Jiangsu, 214122, China.

• Source: Synthetic and systems biotechnology [Synth Syst Biotechnol] 2024 Apr 20; Vol. 9 (3), pp. 558-568. Date of Electronic Publication: 2024 Apr 20 (Print Publication: 2024).Publisher: KeAi Communications Co Country of Publication: China NLM ID: 101694371 Publication Model: eCollection Cited Medium: Internet ISSN:

تفاصيل العنوان

Distinct activation mechanisms regulate subtype selectivity of Cannabinoid receptors.

• Authors : Dutta S; Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, IL, USA.; Shukla D

Subjects: Cell Communication*; Receptors, Cannabinoid ; Ligands

• Source: Communications biology [Commun Biol] 2023 May 05; Vol. 6 (1), pp. 485. Date of Electronic Publication: 2023 May 05.Publisher: Nature Publishing Group UK Country of Publication: England NLM ID: 101719179 Publication Model: Electronic Cited Medium: Internet ISSN:

تفاصيل العنوان

Unlocking the Conformational Changes of P2Y 12 : Exploring an Acridinone Compound's Effect on Receptor Activity and Conformation.

• Authors : Al-Najjar BO; Department of Pharmaceutical Sciences, Faculty of Pharmacy, Al-Ahliyya Amman University, Amman 19328, Jordan.; Diagnostic Research Centre, Al-Ahliyya Amman University, Amman 19328, Jordan.

Subjects: Molecular Dynamics Simulation* ; Receptors, Purinergic P2Y12*; Protein Structure, Secondary

• Source: Molecules (Basel, Switzerland) [Molecules] 2023 May 04; Vol. 28 (9). Date of Electronic Publication: 2023 May 04.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

تفاصيل العنوان

Improving the Modeling of Extracellular Ligand Binding Pockets in RosettaGPCR for Conformational Selection.

• Authors : Liessmann F; Institute for Drug Discovery, Medical Faculty, Leipzig University, 04103 Leipzig, Germany.; Künze G

Subjects: Receptors, G-Protein-Coupled*/Receptors, G-Protein-Coupled*/Receptors, G-Protein-Coupled*/metabolism ; Drug Discovery*/Drug Discovery*/Drug Discovery*/methods; Ligands

• Source: International journal of molecular sciences [Int J Mol Sci] 2023 Apr 24; Vol. 24 (9). Date of Electronic Publication: 2023 Apr 24.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

تفاصيل العنوان

Biocatalytic Enantioselective β-Hydroxylation of Unactivated C-H Bonds in Aliphatic Carboxylic Acids.

• Authors : Zhang K; College of Bioscience and Biotechnology, Yangzhou University, Yangzhou, Jiangsu, 225009, China.; Yu A

Subjects: Carboxylic Acids* ; Cytochrome P-450 Enzyme System*/Cytochrome P-450 Enzyme System*/Cytochrome P-450 Enzyme System*/metabolism; Biocatalysis

• Source: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2022 Jul 11; Vol. 61 (28), pp. e202204290. Date of Electronic Publication: 2022 May 23.Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 0370543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-3773

تفاصيل العنوان

Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics Simulations.

• Authors : Barazorda-Ccahuana HL; Materials Science and Physical Chemistry Department & Research Institute of Theoretical and Computational Chemistry (IQTCUB), University of Barcelona, 08028 Barcelona, Spain.; Vicerrectorado de Investigación, Universidad Católica de Santa María, Arequipa 04000, Peru.

• Source: Polymers [Polymers (Basel)] 2021 Nov 05; Vol. 13 (21). Date of Electronic Publication: 2021 Nov 05.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101545357 Publication Model: Electronic Cited Medium: Internet ISSN: 2073-4360

تفاصيل العنوان

Efficient synthesis of bepotastine and cloperastine intermediates using engineered alcohol dehydrogenase with a hydrophobic pocket.

• Authors : Wu K; School of Pharmacy, Shanghai University of Medicine & Health sciences, 279 Zhouzhu Highway, Pudong New Area, Shanghai, 201318, China.; Microbial Pharmacology Laboratory, Shanghai University of Medicine & Health sciences, 279 Zhouzhu Highway, Pudong New Area, Shanghai, 201318, China.

Subjects: Alcohol Dehydrogenase*/Alcohol Dehydrogenase*/Alcohol Dehydrogenase*/genetics ; Alcohol Dehydrogenase*/Alcohol Dehydrogenase*/Alcohol Dehydrogenase*/metabolism ; Piperidines*

• Source: Applied microbiology and biotechnology [Appl Microbiol Biotechnol] 2021 Aug; Vol. 105 (14-15), pp. 5873-5882. Date of Electronic Publication: 2021 Aug 03.Publisher: Springer International Country of Publication: Germany NLM ID: 8406612 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

تفاصيل العنوان

Heterocyclic Substitutions Greatly Improve Affinity and Stability of Folic Acid towards FRα. an In Silico Insight.

• Authors : Al-Thiabat MG; School of Pharmaceutical Sciences, Universiti Sains Malaysia, Gelugor 11800, Penang, Malaysia.; Pharmaceutical Design and Simulation (PhDS) Laboratory, Universiti Sains Malaysia, Gelugor 11800, Penang, Malaysia.

Subjects: Computer Simulation*; Folate Receptor 1/Folate Receptor 1/Folate Receptor 1/*chemistry ; Folic Acid/Folic Acid/Folic Acid/*chemistry

• Source: Molecules (Basel, Switzerland) [Molecules] 2021 Feb 18; Vol. 26 (4). Date of Electronic Publication: 2021 Feb 18.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

تفاصيل العنوان

Theoretical insights on helix repacking as the origin of P-glycoprotein promiscuity.

• Authors : Bonito CA; , Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, Rua do Campo Alegre, 4169-007, Porto, Portugal.; Ferreira RJ

Subjects: Molecular Dynamics Simulation*; ATP Binding Cassette Transporter, Subfamily B, Member 1/ATP Binding Cassette Transporter, Subfamily B, Member 1/ATP Binding Cassette Transporter, Subfamily B, Member 1/*chemistry ; ATP Binding Cassette Transporter, Subfamily B, Member 1/ATP Binding Cassette Transporter, Subfamily B, Member 1/ATP Binding Cassette Transporter, Subfamily B, Member 1/*metabolism

• Source: Scientific reports [Sci Rep] 2020 Jun 17; Vol. 10 (1), pp. 9823. Date of Electronic Publication: 2020 Jun 17.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

تفاصيل العنوان

Cosolvent Analysis Toolkit (CAT): a robust hotspot identification platform for cosolvent simulations of proteins to expand the druggable proteome.

• Authors : Sabanés Zariquiey F; Chemistry - School of Natural and Environmental Sciences, Newcastle University, NE1 7RU, Newcastle, United Kingdom.; de Souza JV

Subjects: Ligands* ; Molecular Dynamics Simulation* ; Proteome*

• Source: Scientific reports [Sci Rep] 2019 Dec 13; Vol. 9 (1), pp. 19118. Date of Electronic Publication: 2019 Dec 13.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

تفاصيل العنوان