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المؤلفون: João A. Baptista, João Canotilho, Teresa M. R. Maria, António O. L. Évora, Ricardo A. E. Castro, Manuela Ramos Silva, Mário T. S. Rosado, M. Ermelinda S. Eusébio
المصدر: Molecules
Volume 26
Issue 21
Molecules, Vol 26, Iss 6721, p 6721 (2021)مصطلحات موضوعية: Models, Molecular, In silico, Supramolecular chemistry, Ethyl acetate, Drug Evaluation, Preclinical, Pharmaceutical Science, Infrared spectroscopy, Organic chemistry, Crystallography, X-Ray, 2,4-diaminopyrimidine, Article, Analytical Chemistry, dihydrofolate reductase inhibitors, chemistry.chemical_compound, QD241-441, Drug Discovery, Dihydrofolate reductase, Humans, trimethoprim, Physical and Theoretical Chemistry, Enzyme Inhibitors, caffeine, pyridinecarboxamides, biology, Nicotinamide, Molecular Structure, pharmacophore, Synthon, theophylline, Combinatorial chemistry, Tetrahydrofolate Dehydrogenase, pyrimethamine, Pyrimidines, chemistry, Chemistry (miscellaneous), co-crystal screening, biology.protein, Molecular Medicine, Pharmacophore
وصف الملف: application/pdf
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المؤلفون: Fatimah Agili, Samar A. El-Kalyoubi
المصدر: Molecules
Volume 25
Issue 21
Molecules, Vol 25, Iss 5205, p 5205 (2020)مصطلحات موضوعية: Pyridines, Pharmaceutical Science, Chemistry Techniques, Synthetic, Analytical Chemistry, chemistry.chemical_compound, 8-aryl-3-(2-chlorobenzyl) xanthines and 6-aryl-1-(2-chlorobenzyl)lumazines, 0302 clinical medicine, Neoplasms, Drug Discovery, Cytotoxicity, 0303 health sciences, Chemistry, Pteridines, Proto-Oncogene Proteins c-mdm2, Triethyl orthoformate, Molecular Docking Simulation, 6-amino-1-benzyluracil, Proto-Oncogene Proteins c-bcl-2, Chemistry (miscellaneous), 030220 oncology & carcinogenesis, Ethyl acetoacetate, MCF-7 Cells, Molecular Medicine, Pyrimidine, Antineoplastic Agents, Xanthine, Article, lcsh:QD241-441, Inhibitory Concentration 50, 03 medical and health sciences, Folic Acid, lcsh:Organic chemistry, Humans, cancer, Physical and Theoretical Chemistry, Mode of action, 030304 developmental biology, Binding Sites, Ethanol, Dose-Response Relationship, Drug, Cyclin-Dependent Kinase 2, Organic Chemistry, ethyl 5-aryl-7-methylpyridopyrimidine-6-carboxylate, molecular docking, Janus Kinase 2, Combinatorial chemistry, Tetrahydrofolate Dehydrogenase, Pyrimidines, A549 Cells, Docking (molecular), 6-Amino-1-(2-chlorobenzyl)uracil, Drug Screening Assays, Antitumor, Tumor Suppressor Protein p53, 5,6-diamino-1-benzyl uracil
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المصدر: Molecules; Volume 27; Issue 1; Pages: 149
Molecules, Vol 27, Iss 149, p 149 (2022)مصطلحات موضوعية: Trypanosoma brucei, natural products, human African trypanosomiasis, Trypanosoma brucei brucei, Pharmaceutical Science, Analytical Chemistry, Lactones, QD241-441, In silico screening, sesquiterpene lactones, parasitic diseases, Drug Discovery, Physical and Theoretical Chemistry, Di-hydrofolate reductase inhibitor, Human African trypanosomiasis, Natural products, Pteridine reductase 1 inhibitor, Sesquiterpene lactones, Folic Acid Antagonists, Molecular Docking Simulation, Oxidoreductases, Protein Binding, Tetrahydrofolate Dehydrogenase, Trypanocidal Agents, pteridine reductase 1 inhibitor, Organic Chemistry, dihydrofolate reductase inhibitor, Chemistry (miscellaneous), Molecular Medicine, in silico screening
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المؤلفون: Shraddha Parate, Gihwan Lee, Noman Bin Abid, Sanghwa Yoon, Rabia Mukhtar Rana, Yumi Kim, Donghwan Kim, Shailima Rampogu, Amir Zeb, Keun Woo Lee
المصدر: Molecules
Volume 25
Issue 15
Molecules, Vol 25, Iss 3510, p 3510 (2020)مصطلحات موضوعية: Pharmaceutical Science, Molecular Dynamics Simulation, Ligands, Article, methotrexate, Analytical Chemistry, lcsh:QD241-441, 03 medical and health sciences, 0302 clinical medicine, lcsh:Organic chemistry, In vivo, Catalytic Domain, Neoplasms, Drug Discovery, Dihydrofolate reductase, Humans, Physical and Theoretical Chemistry, 030304 developmental biology, 0303 health sciences, Virtual screening, Binding Sites, biology, Chemistry, Organic Chemistry, Wild type, molecular dynamics simulation, Active site, Hydrogen Bonding, Methotrexate analog, molecular docking, virtual screening, Molecular Docking Simulation, Tetrahydrofolate Dehydrogenase, ROC Curve, Biochemistry, Drug Resistance, Neoplasm, Chemistry (miscellaneous), Area Under Curve, 030220 oncology & carcinogenesis, Drug resistance, Mutagenesis, Site-Directed, biology.protein, Lipinski's rule of five, pharmacophore modeling, Folic Acid Antagonists, Thermodynamics, Molecular Medicine, Pharmacophore, human dihydrofolate reductase
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المصدر: Molecules
Volume 25
Issue 11
Molecules, Vol 25, Iss 2593, p 2593 (2020)مصطلحات موضوعية: Models, Molecular, Protein Conformation, Pharmaceutical Science, Pyrazole, 01 natural sciences, DNA gyrase, Analytical Chemistry, chemistry.chemical_compound, Amide, Drug Discovery, Dihydrofolate reductase, Moiety, Topoisomerase II Inhibitors, Schiff base, biology, Molecular Structure, Hep G2 Cells, DHFR, Anti-Bacterial Agents, Molecular Docking Simulation, Chemistry (miscellaneous), Enzyme inhibitor, MCF-7 Cells, Molecular Medicine, Schiff bases, Bacillus subtilis, Staphylococcus aureus, Stereochemistry, enzyme inhibitor, Microbial Sensitivity Tests, 010402 general chemistry, Article, lcsh:QD241-441, Structure-Activity Relationship, Bacterial Proteins, lcsh:Organic chemistry, antiproliferative, Cell Line, Tumor, Escherichia coli, Humans, Physical and Theoretical Chemistry, Cell Proliferation, pyrazole moiety, Binding Sites, 010405 organic chemistry, Organic Chemistry, Active site, molecular docking, 0104 chemical sciences, Tetrahydrofolate Dehydrogenase, chemistry, biology.protein, Folic Acid Antagonists, Pyrazoles, antimicrobial, Drug Screening Assays, Antitumor
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المؤلفون: Ashraf S. Hassan, Eman S. Nossier, Mohamed A. Al-Omar, Ahmed M. Naglah, Ahmed A. Askar, Gaber O. Moustafa
المصدر: Molecules
Volume 24
Issue 17
Molecules, Vol 24, Iss 17, p 3130 (2019)مصطلحات موضوعية: Models, Molecular, Staphylococcus aureus, Staphylococcus aureus DNA, In silico, Dihydrofolate reductase, Pharmaceutical Science, DNA gyrase, Staphylococcus aureus DNA gyrase, Article, Analytical Chemistry, lcsh:QD241-441, Bacterial Proteins, lcsh:Organic chemistry, Drug Discovery, Topoisomerase II Inhibitors, Computer Simulation, Physical and Theoretical Chemistry, chemistry.chemical_classification, biology, Molecular Structure, Chemistry, Organic Chemistry, Antimicrobial, Combinatorial chemistry, Anti-Bacterial Agents, Molecular Docking Simulation, Antibacterial, Tetrahydrofolate Dehydrogenase, Enzyme, Chemistry (miscellaneous), DNA Gyrase, 5-Aminopyrazole, Molecular docking, Lipinski's rule of five, biology.protein, Molecular Medicine, Folic Acid Antagonists, Pyrazoles, Schiff bases, Antibacterial activity
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المؤلفون: Arnold Amusengeri, Özlem Tastan Bishop, Rolland Bantar Tata
المصدر: Molecules
Volume 25
Issue 4
Molecules, Vol 25, Iss 4, p 904 (2020)مصطلحات موضوعية: Plasmodium falciparum, 030303 biophysics, Mutant, malaria, Pharmaceutical Science, Molecular Dynamics Simulation, Ligands, Article, Analytical Chemistry, lcsh:QD241-441, 03 medical and health sciences, lcsh:Organic chemistry, dihydrofolate reductase, Protein Domains, Catalytic Domain, parasitic diseases, Drug Discovery, Dihydrofolate reductase, medicine, Homology modeling, Amino Acids, Physical and Theoretical Chemistry, Binding site, 030304 developmental biology, dynamic residue network, Genetics, 0303 health sciences, drug resistance, biology, Chemistry, Point mutation, Organic Chemistry, Wild type, Active site, MD-TASK, 3. Good health, pyrimethamine, Tetrahydrofolate Dehydrogenase, Pyrimethamine, Chemistry (miscellaneous), Mutation, biology.protein, Thermodynamics, Molecular Medicine, medicine.drug
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المؤلفون: Soledad Chazarra, María Piedad Fernández-Pérez, Magalí Sáez-Ayala, José Neptuno Rodríguez-López, Nani Mchedlishvili, Alberto Tárraga-Tomás
المصدر: Molecules, Vol 18, Iss 7, Pp 8319-8341 (2013)
Molecules
Volume 18
Issue 7
Pages 8319-8341مصطلحات موضوعية: Stereochemistry, drug design, Serum albumin, Pharmaceutical Science, Antineoplastic Agents, Apoptosis, Article, Catechin, Analytical Chemistry, lcsh:QD241-441, 03 medical and health sciences, chemistry.chemical_compound, Folic Acid, 0302 clinical medicine, dihydrofolate reductase, lcsh:Organic chemistry, Cell Line, Tumor, Drug Discovery, Dihydrofolate reductase, antifolates, Humans, Physical and Theoretical Chemistry, Serum Albumin, albumin, Cell Proliferation, 030304 developmental biology, Flavonoids, chemistry.chemical_classification, 0303 health sciences, Tea, biology, tea catechins, Organic Chemistry, Albumin, Polyphenols, Biological activity, Dissociation constant, Tetrahydrofolate Dehydrogenase, Enzyme, chemistry, Biochemistry, Chemistry (miscellaneous), Polyphenol, 030220 oncology & carcinogenesis, biology.protein, Folic Acid Antagonists, Molecular Medicine
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المؤلفون: Amnon Kohen, Kalani Karunaratne, Michael Choi
المصدر: Molecules, Vol 21, Iss 5, p 654 (2016)
Molecules (Basel, Switzerland)مصطلحات موضوعية: 0301 basic medicine, Pharmaceutical Science, mechanism, Flavin group, thymidylate synthase, Biology, 010402 general chemistry, Infections, 01 natural sciences, Thymidylate synthase, Article, Analytical Chemistry, lcsh:QD241-441, 03 medical and health sciences, chemistry.chemical_compound, lcsh:Organic chemistry, Multienzyme Complexes, Flavins, antibiotic, Drug Discovery, Dihydrofolate reductase, Thymidine Monophosphate, Humans, Physical and Theoretical Chemistry, chemistry.chemical_classification, Thymidine monophosphate, Bacteria, Organic Chemistry, biology.organism_classification, flavin, 0104 chemical sciences, 3. Good health, Anti-Bacterial Agents, De novo synthesis, Kinetics, Tetrahydrofolate Dehydrogenase, enzyme, 030104 developmental biology, Enzyme, Biochemistry, chemistry, Chemistry (miscellaneous), biology.protein, Molecular Medicine, DNA
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المؤلفون: Mary Henry, Richard A. Bunce, William W. Barrow, Christina R. Bourne, K. Darrell Berlin, Esther W. Barrow, Philip C. Bourne, N. Prasad Muddala, Baskar Nammalwar
المصدر: Molecules
Volume 19
Issue 3
Pages 3231-3246
Molecules (Basel, Switzerland)
Molecules, Vol 19, Iss 3, Pp 3231-3246 (2014)مصطلحات موضوعية: Models, Molecular, antibiotic resistance, Antibiotics, Molecular Conformation, Pharmaceutical Science, 2,4-diaminopyrimidine, 01 natural sciences, Analytical Chemistry, Stereocenter, chemistry.chemical_compound, Heck reaction, dihydrofolate reductase (DHFR), Drug Discovery, antifolates, Moiety, media_common, 0303 health sciences, biology, Biological activity, Gram-positive bacteria, 3. Good health, Bacillus anthracis, Biochemistry, Chemistry (miscellaneous), Molecular Medicine, Protein Binding, Drug, medicine.drug_class, media_common.quotation_subject, Microbial Sensitivity Tests, Article, lcsh:QD241-441, 03 medical and health sciences, Antibiotic resistance, lcsh:Organic chemistry, medicine, Physical and Theoretical Chemistry, Binding Sites, 010405 organic chemistry, 030306 microbiology, Organic Chemistry, biology.organism_classification, 0104 chemical sciences, Tetrahydrofolate Dehydrogenase, Pyrimidines, Diaminopyrimidine, chemistry, Folic Acid Antagonists
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