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Structure-activity relationship of amino acid analogs to probe the binding pocket of sodium-coupled neutral amino acid transporter SNAT2

• Authors : Jakobsen, Sebastian; Pedersen, Maria; Nielsen, Carsten Uhd

Subjects: Tumor; Binding Sites; Amino Acid Transport System A

• Source: Amino AcidsAmino Acids, Vol 56, Iss 1, Pp 1-12 (2024)

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Autoencoder-based detection of the residues involved in G protein-coupled receptor signaling.

• Authors : Tsuchiya Y; Artificial Intelligence Research Center, National Institute of Advanced Industrial Science and Technology, 2-4-7 Aomi, Koto-ku, Tokyo, 135-0064, Japan. .; Taneishi K

Subjects: Amino Acid Motifs* ; Binding Sites* ; Models, Molecular*

• Source: Scientific reports [Sci Rep] 2021 Oct 06; Vol. 11 (1), pp. 19867. Date of Electronic Publication: 2021 Oct 06.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Investigation into the Interaction between Penicillin‐Resistant and Penicillin‐Susceptible Gonococcal Penicillin‐Binding Protein 2 and Target Phenolic Ligands through Molecular Docking Studies and Structure‐Activity Relationship Analysis

• Authors : Yakobi, Sinethemba¹ (AUTHOR) ; Zuma, Lindiwe¹ (AUTHOR); Pooe, Ofentse¹ (AUTHOR)

• Source: Advances in Pharmacological & Pharmaceutical Sciences. 6/12/2024, Vol. 2024, p1-17. 17p.

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Structural Optimization and Structure–Activity Relationship Studies of 6,6-Dimethyl-4-(phenylamino)-6H-pyrimido[5,4-b][1,4]oxazin-7(8H)-one Derivatives as A New Class of Potent Inhibitors of Pan-Trk and Their Drug-Resistant Mutants

• Authors : Shulei Pan; Liting Zhang; Xinling Luo

Subjects: 7 ­( 8; 11g )‑ one derivatives; 4 ]­ oxazin

• Source: Journal of Medicinal Chemistry. 65:2035-2058

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In Silico Prediction and Validation of CB2 Allosteric Binding Sites to Aid the Design of Allosteric Modulators.

• Authors : Yuan J; Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA 15261, USA.; Department of Pharmaceutical Sciences and National Center of Excellence for Computational Drug Abuse Research, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA 15261, USA.

Subjects: Allosteric Site* ; Binding Sites* ; Drug Design*

• Source: Molecules (Basel, Switzerland) [Molecules] 2022 Jan 11; Vol. 27 (2). Date of Electronic Publication: 2022 Jan 11.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Lack of Charge Interaction in the Ion Binding Site Determines Anion Selectivity in the Sodium Bicarbonate Cotransporter NBCe1.

• Authors : Lee S; Department of Cell Biology, Emory University School of Medicine, Atlanta, GA 30322, USA.; Lin J

Subjects: Binding Sites*; Ions/Ions/Ions/*chemistry ; Ions/Ions/Ions/*metabolism

• Source: International journal of molecular sciences [Int J Mol Sci] 2022 Jan 04; Vol. 23 (1). Date of Electronic Publication: 2022 Jan 04.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Structure‐Activity Relationship Studies of Hydantoin‐Cored Ligands for Smoothened Receptor

• Authors : Yang Liu; Fang Zhou; Kang Ding

Subjects: 0303 health sciences; Binding Sites; Hydantoins

• Source: ChemistryOpenChemistryOpen, Vol 10, Iss 10, Pp 1028-1032 (2021)

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Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure–Activity Relationship, and X-ray Structural Studies

• Authors : Arun K. Ghosh; Jakka Raghavaiah; Dana Shahabi

Subjects: 0301 basic medicine; Indoles; Chemical Sciences not elsewhere classified

• Source: Journal of Medicinal Chemistry. 64:14702-14714

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Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.

• Authors : Sudasinghe TD; Department of Pharmaceutical Sciences, University of Nebraska Medical Center, Omaha, NE, 68198, USA.; Banco MT

Subjects: Binding Sites* ; Models, Molecular*; Antitubercular Agents/Antitubercular Agents/Antitubercular Agents/*chemistry

• Source: Scientific reports [Sci Rep] 2021 Nov 15; Vol. 11 (1), pp. 22240. Date of Electronic Publication: 2021 Nov 15.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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DNAgenie: accurate prediction of DNA-type-specific binding residues in protein sequences.

• Authors : Zhang J; School of Computer and Information Technology at the Xinyang Normal University, No.237, Nanhu Road, Xinyang 464000, Henan Province, P.R. China.; Ghadermarzi S

Subjects: Base Sequence* ; Binding Sites* ; Software*

• Source: Briefings in bioinformatics [Brief Bioinform] 2021 Nov 05; Vol. 22 (6).Publisher: Oxford University Press Country of Publication: England NLM ID: 100912837 Publication Model: Print Cited Medium: Internet ISSN:

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