المؤلفون: Myers, Nadine E. M.

المساهمون: Danielson, Helena, Professor, 1959, Macchiarulo, Antonio, Full Professor

المصدر: Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology.

مصطلحات موضوعية: Fragment-based lead discovery, Structure-affinity relationship, Fragment screening, Cancer, Surface Plasmon Resonance, Compound optimization. Biosensors, Computational modelling

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-543034
https://uu.diva-portal.org/smash/get/diva2:1914031/FULLTEXT01.pdf
https://uu.diva-portal.org/smash/get/diva2:1914031/PREVIEW01.jpg

المؤلفون: Holtschulte C., Borgel F., Westphalinger S., Schepmann D., Civenni G., Laurini E., Marson D., Catapano C. V., Pricl S., Wunsch B.

المساهمون: Holtschulte, C., Borgel, F., Westphalinger, S., Schepmann, D., Civenni, G., Laurini, E., Marson, D., Catapano, C. V., Pricl, S., Wunsch, B.

مصطلحات موضوعية: androgen negative human prostate cancer cells DU145, antitumor activity, cytotoxic activity, human non-small cell lung cancer cells A427, lipophilic ligand efficiency, logD, 7.4, value, molecular dynamics simulation, piperidine, selectivity over σ, receptor, structure affinity relationship, synthesi, σ, affinity, receptor ligand, Carcinoma, Non-Small-Cell Lung, Cell Line, Tumor, Human, Ligand, Lung Neoplasm, Male, Prostatic Neoplasm, Structure-Activity Relationship, Antineoplastic Agent, Receptors

Time: 2, 1

وصف الملف: ELETTRONICO

Relation: info:eu-repo/semantics/altIdentifier/pmid/35077612; info:eu-repo/semantics/altIdentifier/wos/WOS:000753356300001; volume:17; issue:7; firstpage:"-"; lastpage:"-"; numberofpages:17; journal:CHEMMEDCHEM; http://hdl.handle.net/11368/3018519; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85124593518

الاتاحة: http://hdl.handle.net/11368/3018519
https://doi.org/10.1002/cmdc.202100735
https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cmdc.202100735

المؤلفون: Friedrich-Alexander Ludwig, Erik Laurini, Judith Schmidt, Sabrina Pricl, Winnie Deuther-Conrad, Bernhard Wünsch

المساهمون: Ludwig, Friedrich-Alexander, Laurini, Erik, Schmidt, Judith, Pricl, Sabrina, Deuther-Conrad, Winnie, Wünsch, Bernhard

مصطلحات موضوعية: σ1 receptor ligand, σ1:σ2 selectivity, structure–affinity relationship, enantioselective synthesi, pharmacokinetic, logD7.4 value, plasma protein binding, biotransformation, molecular dynamics simulation, ligand–σ1 receptor interaction, radiosynthesi, automated radiosynthesi, radiometabolite, biodistribution, irreversible binding of (R)-[18F]2, major depressive disorder, increased σ1 receptor density, occupancy study with pridopidin

وصف الملف: ELETTRONICO

Relation: volume:17; issue:2; firstpage:-; lastpage:-; journal:PHARMACEUTICALS; https://hdl.handle.net/11368/3068618

الاتاحة: https://hdl.handle.net/11368/3068618
https://doi.org/10.3390/ph17020166

المؤلفون: Abatematteo, Francesca, Mosier, Philip, Niso, Mauro, Brunetti, Leonardo, Berardi, Francesco, Loiodice, Fulvio, Contino, Marialessandra, Delprat, Benjamin, Maurice, Tangui, Laghezza, Antonio, Abate, Carmen

المساهمون: Università degli studi di Bari Aldo Moro = University of Bari Aldo Moro (UNIBA), Medical College of Wisconsin Milwaukee (MCW), Mécanismes moléculaires dans les démences neurodégénératives (MMDN), École Pratique des Hautes Études (EPHE), Université Paris Sciences et Lettres (PSL)-Université Paris Sciences et Lettres (PSL)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de Montpellier (UM)

المصدر: ISSN: 0223-5234.

مصطلحات موضوعية: Learning, Memory, Molecular modeling, Sigma-1 receptor agonist, Sterol isomerase ligand, Structure–affinity relationship (SAfiR), [SDV]Life Sciences [q-bio]

Relation: info:eu-repo/semantics/altIdentifier/pmid/34902734; PUBMED: 34902734

الاتاحة: https://inserm.hal.science/inserm-03845632
https://doi.org/10.1016/j.ejmech.2021.114038

المؤلفون: JONAS, Hendrik

المساهمون: DIANA, Patrizia

مصطلحات موضوعية: endo-configuration, diastereoselective reductive amination, enantiomeric excess, structure-affinity relationship, NOESY spectrum, KOR agonist, conformational restriction, chiral HPLC, Settore CHIM/08 - Chimica Farmaceutica, 2-azabicyclo[3.3.1]octane, cis/trans configuration

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od______3658::79bb69aeccf88bec97e49d481b9896dd
http://hdl.handle.net/10447/518592

المؤلفون: Slavkovic, Sladjana, Altunisik, Merve, Reinstein, Oren, Johnson, Philip E

مصطلحات موضوعية: Aptamer, Structure affinity relationship, ITC, Calorimetry

وصف الملف: application/pdf

Relation: Bioorganic & Medicinal Chemistry 23 (2015): 2593-2597; https://doi.org/10.1016/j.bmc.2015.02.052; http://hdl.handle.net/10315/41133

الاتاحة: http://hdl.handle.net/10315/41133
https://doi.org/10.1016/j.bmc.2015.02.052

المؤلفون: Kopp N., Holtschulte C., Borgel F., Lehmkuhl K., Friedland K., Civenni G., Laurini E., Catapano C. V., Pricl S., Humpf H. -U., Schepmann D., Wunsch B.

المساهمون: Kopp, N., Holtschulte, C., Borgel, F., Lehmkuhl, K., Friedland, K., Civenni, G., Laurini, E., Catapano, C. V., Pricl, S., Humpf, H. -U., Schepmann, D., Wunsch, B.

مصطلحات موضوعية: Aminoethylcyclohexane, Antagonistic activity, Biotransformation, Ca, 2+, influx assay, Calculated free energy of binding, CD spectroscopy, Chiral HPLC, DU145 tumor cell, Inhibition of human prostate tumor cell growth, Lipophilicity, Molecular dynamics simulation, Molecular interaction, per-residue binding free energy, Selectivity, Stereochemistry, Structure affinity relationship, Voltage gated Ca, channel, σ receptor, σ, receptor affinity

Time: 1

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/33148494; info:eu-repo/semantics/altIdentifier/wos/WOS:000604903800003; volume:210; firstpage:"-"; lastpage:"-"; journal:EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY; http://hdl.handle.net/11368/2977976; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85094901016

الاتاحة: http://hdl.handle.net/11368/2977976
https://doi.org/10.1016/j.ejmech.2020.112950

المؤلفون: Nicole Kopp, Erik Laurini, Hans-Ulrich Humpf, Dirk Schepmann, Carmen Almansa, Francisco R. Nieto, Sabrina Pricl, Gianluca Civenni, Domenico Marson, Carlo V. Catapano, Bernhard Wünsch

المساهمون: Kopp, N., Civenni, G., Marson, D., Laurini, E., Pricl, S., Catapano, C. V., Humpf, H. -U., Almansa, C., Nieto, F. R., Schepmann, D., Wunsch, B.

مصطلحات موضوعية: Steered molecular dynamics, Analgesic activity, Eudysmic ratio, Molecular dynamic, Stereochemistry, receptor, Molecular dynamics, Neuropathic pain, Kinetic resolution, chemistry.chemical_compound, σ, Drug Discovery, Chiral HPLC, Moiety, Chemoenzymatic synthesis, Selectivity, Docking studies, Binding site, Steered molecular dynamic, Structure affinity relationship, Pharmacology, 2,6-Disubstituted tetrahydropyrans, Androgen negative human prostate cancer cell line DU145, Antiallodynic activity, Antitumor activity, CD spectroscopy, Structure affinity relationships, 1, receptor affinity, Organic Chemistry, General Medicine, Tetrahydropyran, 2,6-Disubstituted tetrahydropyran, Ligand (biochemistry), Chiral column chromatography, chemistry, 6-Disubstituted tetrahydropyrans, Docking studie, Chemoenzymatic synthesi, Enantiomer

وصف الملف: ELETTRONICO

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a1ecbc0b94c8f1e4352a2e829847b05
https://www.sciencedirect.com/science/article/pii/S0223523421002920?via=ihub

المؤلفون: Balandis, Benas, Ivanauskaitė, Guostė, Smirnovienė, Joana, Kantminienė, Kristina, Matulis, Daumantas, Mickevičius, Vytautas, Zubrienė, Asta

المصدر: Bioorganic chemistry, San Diego : Elsevier, 2020, vol. 97, art. no. 103658, p. 1-12 ; ISSN 0045-2068 ; eISSN 1090-2120

مصطلحات موضوعية: 5-oxopyrrolidine, benzenesulfonamide, carbonic anhydrase, fluorescent thermal shift assay, structure-affinity relationship

Relation: http://vu.lvb.lt/VU:ELABAPDB51934890&prefLang=en_US

الاتاحة: http://vu.lvb.lt/VU:ELABAPDB51934890&prefLang=en_US

المؤلفون: Niso M., Mosier P. D., MAROTTOLI, ROBERTA, Ferorelli S., Cassano G., Gasparre G., Leopoldo M., Berardi F., Abate C.

المساهمون: Niso, M., Mosier, P. D., Marottoli, Roberta, Ferorelli, S., Cassano, G., Gasparre, G., Leopoldo, M., Berardi, F., Abate, C.

مصطلحات موضوعية: molecular modeling, sigma ligand, sigma-1 receptor, sigma-1 receptors antagonist, structure–affinity relationship

Relation: info:eu-repo/semantics/altIdentifier/pmid/31633399; info:eu-repo/semantics/altIdentifier/wos/WOS:000498837700006; volume:11; issue:19; firstpage:2547; lastpage:2562; numberofpages:16; journal:FUTURE MEDICINAL CHEMISTRY; http://hdl.handle.net/11586/246215; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85073634435

الاتاحة: http://hdl.handle.net/11586/246215
https://doi.org/10.4155/fmc-2019-0042

المؤلفون: Intagliata, Sebastiano

مصطلحات موضوعية: Area 03 - Scienze chimiche, serotonin, 5-HT1AR, 5-HT7R, binding properties, structure affinity relationship studies, homology models, molecular docking, N-long-chain arylpiperazine, O-long-chain arylpiperazine, bivalent ligand approach, dual ligands, selective 5-HT7R ligands, bis-piperazines

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od______2357::a426d2a6ebd05b50135035728cb8b3e7
https://hdl.handle.net/10761/3918

المؤلفون: Venkatesan, G, Paira, P., Cheong, S. L., Klotz, K. N., Pastorin, G., FEDERICO, STEPHANIE, SPALLUTO, GIAMPIERO

المساهمون: Venkatesan, G, Paira, P., Cheong, S. L., Federico, Stephanie, Klotz, K. N., Spalluto, Giampiero, Pastorin, G.

مصطلحات موضوعية: 4-d]pyrimidine, Adenosine receptor antagonist, Carboxylate derivative, Homology modeling, Molecular docking, Pyrazolo[3, Structure-affinity relationship, Drug Discovery3003 Pharmaceutical Science, Organic Chemistry, Pharmacology

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/25633494; info:eu-repo/semantics/altIdentifier/wos/WOS:000350919100066; volume:2015; issue:92; firstpage:784; lastpage:798; numberofpages:15; journal:EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY; http://hdl.handle.net/11368/2835190; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84921653076; http://www.sciencedirect.com/science/article/pii/S0223523415000665

الاتاحة: http://hdl.handle.net/11368/2835190
https://doi.org/10.1016/j.ejmech.2015.01.046
http://www.sciencedirect.com/science/article/pii/S0223523415000665

المؤلفون: Zhang, Zhaoda, Kil, Kun Eek, Poutiainen, Pekka, Choi, Ji Kyung, Kang, Hye Jin, Huang, Xi Ping, Roth, Bryan L., Brownell, Anna Liisa

المصدر: Bioorganic & Medicinal Chemistry Letters, 25(18)

مصطلحات موضوعية: Humans, Rats, Affinity, Molecular Structure, Receptors, Metabotropic Glutamate, Positron-Emission Tomography, Picolines, Microsomes, Ligands, Structure-Activity Relationship, Metabolic stability, Positive allosteric modulator (PAM), Animals, N-phenylpicolinamide, Metabotropic glutamate receptor subtype 4 (mGlu(4)), Structure–affinity relationship (SAR), Positron emission tomography (PET)

Relation: https://cdr.lib.unc.edu/downloads/vm40xz65s?file=thumbnail; https://cdr.lib.unc.edu/downloads/vm40xz65s

الاتاحة: https://doi.org/10.17615/e12m-v066
https://cdr.lib.unc.edu/downloads/vm40xz65s?file=thumbnail
https://cdr.lib.unc.edu/downloads/vm40xz65s

المؤلفون: Siew Lee Cheong, Stephanie Federico, Gopalakrishnan Venkatesan, Giampiero Spalluto, Priyankar Paira, Karl-Norbert Klotz, Giorgia Pastorin

المساهمون: Venkatesan, G, Paira, P., Cheong, S. L., Federico, Stephanie, Klotz, K. N., Spalluto, Giampiero, Pastorin, G.

المصدر: European journal of medicinal chemistry. 92

مصطلحات موضوعية: Models, Molecular, Pyrimidine, Stereochemistry, Adenosine A3 Receptor Antagonists, Adenosine receptor antagonists, Ligands, chemistry.chemical_compound, Structure-Activity Relationship, Carboxylate derivative, Drug Discovery, 4-d]pyrimidine, Pyrazolo[3, Molecule, Structure–activity relationship, Humans, Homology modeling, Carboxylate, Pharmacology, Structure-affinity relationship, Molecular Structure, Drug Discovery3003 Pharmaceutical Science, Organic Chemistry, Receptor, Adenosine A3, Antagonist, General Medicine, Adenosine receptor, Combinatorial chemistry, Carboxylate derivatives, Pyrimidines, chemistry, Molecular docking, Pyrazoles, Selectivity, Adenosine receptor antagonist

وصف الملف: STAMPA

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a48082a7ebd8c072c24cb1b68c32eceb
https://pubmed.ncbi.nlm.nih.gov/25633494

المؤلفون: Gopalakrishnan Venkatesan, Priyankar Paira, Siew Lee Cheong, Kosaraju Vamsikrishna, Karl Norbert Klotz, Giorgia Pastorin, FEDERICO, STEPHANIE, SPALLUTO, GIAMPIERO

المساهمون: Gopalakrishnan, Venkatesan, Priyankar, Paira, Siew Lee, Cheong, Kosaraju, Vamsikrishna, Federico, Stephanie, Karl Norbert, Klotz, Spalluto, Giampiero, Giorgia, Pastorin

مصطلحات موضوعية: Pyrazolo[3, 4-d]pyrimidine, Adenosine Receptor Antagonist, homology modeling, molecular docking, structure affinity relationship

Relation: info:eu-repo/semantics/altIdentifier/pmid/24518296; info:eu-repo/semantics/altIdentifier/wos/WOS:000331729500024; volume:22; firstpage:1751; lastpage:1765; numberofpages:15; journal:BIOORGANIC & MEDICINAL CHEMISTRY; http://hdl.handle.net/11368/2757563; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84896722305

الاتاحة: http://hdl.handle.net/11368/2757563
https://doi.org/10.1016/j.bmc.2014.01.018

المؤلفون: Brizzi, Antonella, Aiello, Francesca, Marini, Pietro, Cascio, Maria Grazia, Corelli, Federico, Brizzi, Vittorio, De Petrocellis, Luciano, Ligresti, Alessia, Luongo, Livio, Lamponi, Stefania, Maione, Sabatino, Pertwee, Roger G., Di Marzo, Vincenzo

المساهمون: Brizzi, Antonella, Aiello, Francesca, Marini, Pietro, Cascio, Maria Grazia, Corelli, Federico, Brizzi, Vittorio, De Petrocellis, Luciano, Ligresti, Alessia, Luongo, Livio, Lamponi, Stefania, Maione, Sabatino, Pertwee, Roger G., Di Marzo, Vincenzo

مصطلحات موضوعية: Alkyl-resorcinol derivative, Anandamide, Cannabinoid ligand, Endocannabinoid, Lipid modulator, Structure-affinity relationship, Transient receptor potential ankyrin type-1 channel

وصف الملف: ELETTRONICO

Relation: info:eu-repo/semantics/altIdentifier/pmid/25065940; info:eu-repo/semantics/altIdentifier/wos/WOS:000341293300028; volume:22; issue:17; firstpage:4770; lastpage:4783; numberofpages:13; journal:BIOORGANIC & MEDICINAL CHEMISTRY; http://hdl.handle.net/11365/49697; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84906938448; https://www.sciencedirect.com/science/article/pii/S0968089614005094?via=ihub

الاتاحة: http://hdl.handle.net/11365/49697
https://doi.org/10.1016/j.bmc.2014.07.006
https://www.sciencedirect.com/science/article/pii/S0968089614005094?via=ihub

المؤلفون: Venkatesan, G., Paira, P., Cheong, S.L., Vamsikrishna, K., Federico, S., Klotz, K.-N., Spalluto, G., Pastorin, G.

المساهمون: PHARMACY

المصدر: Scopus

مصطلحات موضوعية: Adenosine receptor antagonist, Homology modeling, Molecular docking, Pyrazolo[3,4-d]pyrimidine, Structure affinity relationship

Relation: Venkatesan, G., Paira, P., Cheong, S.L., Vamsikrishna, K., Federico, S., Klotz, K.-N., Spalluto, G., Pastorin, G. (2014-03-01). Discovery of simplified N2-substituted pyrazolo[3,4-d]pyrimidine derivatives as novel adenosine receptor antagonists: Efficient synthetic approaches, biological evaluations and molecular docking studies. Bioorganic and Medicinal Chemistry 22 (5) : 1751-1765. ScholarBank@NUS Repository. https://doi.org/10.1016/j.bmc.2014.01.018; http://scholarbank.nus.edu.sg/handle/10635/105841; 000331729500024

الاتاحة: http://scholarbank.nus.edu.sg/handle/10635/105841

المؤلفون: Stephanie Federico, Gopalakrishnan Venkatesan, Karl-Norbert Klotz, Giampiero Spalluto, Kosaraju Vamsikrishna, Giorgia Pastorin, Siew Lee Cheong, Priyankar Paira

المساهمون: Gopalakrishnan, Venkatesan, Priyankar, Paira, Siew Lee, Cheong, Kosaraju, Vamsikrishna, Federico, Stephanie, Karl Norbert, Klotz, Spalluto, Giampiero, Giorgia, Pastorin

مصطلحات موضوعية: Steric effects, Pyrimidine, Stereochemistry, homology modeling, Clinical Biochemistry, Pharmaceutical Science, Pyrazole, Adenosine receptor antagonist, Biochemistry, chemistry.chemical_compound, Pyrazolo[3, 4-d]pyrimidine, Adenosine Receptor Antagonists, molecular docking, structure affinity relationship, Drug Discovery, Molecular Biology, Bicyclic molecule, Organic Chemistry, Adenosine receptor, Adenosine Receptor Antagonist, chemistry, Lipophilicity, Molecular Medicine, Isopropyl

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::676c8a97e9c1211073510394d8941626
https://hdl.handle.net/11368/2757563

المؤلفون: Cheong S. L., Dolzhenko A. V., Paoletta S., Lee E. P. R., Kachler S., Klotz, K. N., Moro, S., Pastorin, G., FEDERICO, STEPHANIE, SPALLUTO, GIAMPIERO

المساهمون: Cheong, S. L., Dolzhenko, A. V., Paoletta, S., Lee, E. P. R., Kachler, S., Federico, Stephanie, Klotz, K. N., Spalluto, Giampiero, Moro, S., Pastorin, G.

مصطلحات موضوعية: Structure-affinity relationship, affinity, selectivity

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000295494600021; volume:19/2011; firstpage:6120; lastpage:6134; journal:BIOORGANIC & MEDICINAL CHEMISTRY; http://hdl.handle.net/11368/2403682; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-80053237248

الاتاحة: http://hdl.handle.net/11368/2403682
https://doi.org/10.1016/j.bmc.2011.08.026

المؤلفون: Cheong, S.L., Dolzhenko, A.V., Paoletta, S., Lee, E.P.R., Kachler, S., Federico, S., Klotz, K.-N., Spalluto, G., Moro, S., Pastorin, G.

المساهمون: PHARMACY

المصدر: Scopus

مصطلحات موضوعية: 2-Phenyl-pyrazolo-triazolo-pyrimidines, Affinity, Human A 3 adenosine receptor antagonists, Selectivity, Structure-affinity relationship

Relation: Cheong, S.L., Dolzhenko, A.V., Paoletta, S., Lee, E.P.R., Kachler, S., Federico, S., Klotz, K.-N., Dolzhenko, A.V., Spalluto, G., Moro, S., Pastorin, G. (2011-10-15). Does the combination of optimal substitutions at the C 2-, N 5- and N 8-positions of the pyrazolo-triazolo-pyrimidine scaffold guarantee selective modulation of the human A 3 adenosine receptors?. Bioorganic and Medicinal Chemistry 19 (20) : 6120-6134. ScholarBank@NUS Repository. https://doi.org/10.1016/j.bmc.2011.08.026; http://scholarbank.nus.edu.sg/handle/10635/105850; 000295494600021

الاتاحة: http://scholarbank.nus.edu.sg/handle/10635/105850