An Introduction to Medicinal Chemistry 7e Student Resources

An Introduction to Medicinal Chemistry 7e E-book

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Chapter 1 MCQs

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Chapter 28 MCQs

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Web article 1: Steroids as novel anticancer agents

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Web article 2: antagonists as molecular labels

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Web article 3: Glycosphingolipids

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Web article 4: Inside the 'doughnut' the versatile chemistry of cyclodextrins

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Web article 5: The design of a serotonin antagonist as a possible anxiolytic agent

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Web article 6: deconvolution

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Web article 8: photoaffinity labelling

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Web article 9: history of opium

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Web article 10: clinical applications of opioids

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Web article 11: testing methods

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Web article 12: opioid dimers and receptors on

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Web article 13: 4-anilinopiperidines

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Web article 14: orvinols

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Web article 15: the message-address concept

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Web article 16: morphine biosynthesis

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Web article 17: Fragment based drug discovery

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Web article 21: Microwave technology applied to medicinal chemistry

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Web article 23: histone deacetylase

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Web article 24: Current metallodrugs in cancer

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Web article 25: Looking at Medicinal Chemistry post Lipinski

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Web article 27: Hybrid drugs in cancer chemotherapy

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Web article 28: Use of Fluorine in Medicinal Chemistry

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Web article on Opioid dimers and receptors

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Molecular modelling exercise 2.1

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Molecular modelling exercise 2.2

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Molecular modelling exercise 17.1

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Molecular modelling exercise 17.2

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Molecular modelling exercise 17.3

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Molecular modelling exercise 17.4

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Molecular modelling exercise 17.6

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Molecular modelling exercise 17.7

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Molecular modelling exercise 17.8

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Molecular modelling exercise 18.1

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Molecular modelling exercise 18.2

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Molecular modelling exercise 18.3

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Molecular modelling exercise 18.4

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Molecular modelling exercise 19.1

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Molecular modelling exercise 19.3

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Molecular modelling exercise 19.4

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Molecular modelling exercise 19.5

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Molecular modelling exercise 22.1

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Molecular modelling exercise 22.3

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Molecular modelling exercise 22.4

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Molecular modelling exercise 24.1

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Molecular modelling exercise 24.2

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Molecular modelling exercise 24.3

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Molecular modelling exercise 24.4

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Molecular modelling exercise 24.5

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Molecular modelling exercise 24.6

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Molecular modelling exercise 25.1

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Molecular modelling exercise 25.2

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Molecular modelling exercise 26.2

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Molecular modelling exercise 26.3

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Molecular modelling exercise 26.4

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Molecular modelling exercise 26.5

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Molecular modelling exercise 26.6

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Molecular modelling exercise 26.7

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Molecular modelling exercise 26.8

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Molecular modelling exercise 26.9

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Molecular modelling exercise 26.10

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Molecular modelling exercise 26.11

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Molecular modelling exercise 26.12

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Molecular modelling exercise 26.13

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Molecular modelling exercise 26.14

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Molecular modelling exercise 26.15

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Molecular modelling exercise 26.16

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Molecular modelling exercise 26.17

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Molecular modelling exercise 26.18

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Molecular modelling exercise 26.1

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Molecular modelling exercise 27.1

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Molecular modelling exercise 27.2

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Molecular modelling exercise 27.3

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Molecular modelling exercise 27.4

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Molecular modelling exercise 27.5

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Molecular modelling exercise 27.6

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Molecular modelling exercise 28.1

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Molecular modelling exercise cs7.1

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Molecular modelling exercise cs7.2

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Molecular modelling exercise cs7.3

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Molecular modelling exercise cs7.5

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Molecular modelling exercise cs7.6

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Molecular modelling exercise cs7.7

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Molecular modelling exercise cs7.8

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Struggle alert 1: ionizable groups

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Struggle alert 2:structural variations affecting pKa

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Struggle alert 3: Sulphonamide analogues with reduced toxicity

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Struggle alert 4: penicillin analogues

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Struggle alert 6: histamine and histamine receptors

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Protein Data Bank Exercise. Human Cyclin-Dependent Kinase 2

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Protein Data Bank Exercise. Crystal Structure of Gamma-Chymotrypsin in Complex with 7-Hydroxycoumarin

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Protein Data Bank Exercise. Proflavine (PDB 3FT6)

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Protein Data Bank Exercise. Ciprofloxacin (PDB 2XCT)

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Protein Data Bank Exercise. Ornithine decarboxylase from Trypanosoma brucei K69A mutant in complex with alpha-difluoromethylornithine PDB ID code 2TOD

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Protein Data Bank Exercise. Solution structure of the monoalkylated mitomycin c-DNA complex

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Protein Data Bank Exercise. Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link

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Protein Data Bank Exercise. Actinomycin D binding to ATGCTGCAT

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Protein Data Bank Exercise. Methotrexate bound to human bacterial dihydrofolate reductase (PDB 3DFR)

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Protein Data Bank Exercise. Lefamulin bound to the large ribosomal subunit of S. aureus. (PDB 5HL7).

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Protein Data Bank Exercise. Gentamicin C1A bound to the 16S-rRNA A-site

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Protein Data Bank Exercise. Anthrax toxin lethal factor (PDB code 1J7N)

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Protein Data Bank Exercise. Tetracycline bound to 30S ribosomal subunit (PBD code 1HNW)

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Protein Data Bank Exercise. Vaborbactam bound to KPC-2 (PDB 6V7I)

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Protein Data Bank Execise. Crystal structure of ciprofloxacin bound to the S. aureus gyrase complex with DNA (PDB 2XCT)

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Protein Data Bank Exercise. Linezolid bound to the large ribosomal subunit of Haloarcula Marismortui (PBD 3CPW)

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Protein Data Bank Exercise. Ampicillin with PBP6 (PDB 3ITA)

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Protein Data Bank Exercise. Ritonavir (A-84538) complexed with HIV-1 protease dimer (PDB 1HXW)

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Protein Data Bank Exercise. Tipranavir bound to wild type HIV-1 protease (PDB 6DIF)

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Protein Data Bank Exercise. Amprenavir with wild type HIV protease 1 (PDB code 3EKV)

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Protein Data Bank Exercise. Efavirenz with HIV-1 reverse transcriptase (PDB code 1FK9)

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Protein Data Bank Exercise. Etravirine with HIV-1 reverse transcriptase PDB 3MEC

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Protein Data Bank Exercise. Glecaprevir crystallised with HCV NS3/4A Protease (PDB code 6P6L).

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Protein Data Bank Exercise. Indinavir complexed with HIV II protease (PDB 1HSG)

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Protein Data Bank Exercise. Nevirapine with HIV-1 reverse transcriptase. (PDB 1VRT)

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Protein Data Bank Exercise. GS 4071 crystallised with N1 neuraminidase (PDB code 2HU4)

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Protein Data Bank Exercise. Pleconaril complexed with HRV14

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Protein Data Bank Exercise. Saquinavir complexed with wild type HIV-1 protease (PDB 3OXC)

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Protein Data Bank Exercise. BMS-818251 crystallised with the GP129 envelope complex (PDB 6MU7)

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Protein Data Bank Exercise. Nelfinavir in complex with HIV-1 Protease (PDB code 1OHR)

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Protein Data Bank Exercise. Baloxavir acid influenza PDB 6FS6

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Protein Data Bank Exercise. Darunavir with wt HIV protease PDB code 4LL3

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Protein Data Bank Exercise. Delavirdine PDB 1KLM

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Protein Data Bank Exercise. Dolutegravir PDB 6RWN

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Protein Data Bank Exercise. Doravirine with HIV PDB 4NCG

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Protein Data Bank Exercise. 4’-Epiadriamycin complexed with the nucleic acid sequence d(TGTACA) (PDB 1D54)

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Protein Data Bank Exercise. Abiraterone bound to the cytochrome P450 enzyme - CYP1741 (PDB code 3RUK)

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Protein Data Bank Exercise. Bortezomib bound to the yeast 20S proteasome beta2-G170A mutant (PDB 5BXN)

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Protein Data Bank Exercise. Carfilzomib with human constitutive 20S proteasome (PDB 4R67)

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Protein Data Bank Exercise. Combretastatin bound to Tubulin (PDB 5LYJ)

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Protein Data Bank Exercise. Enasidenib bound to mutant human mitochondrial dehydrogenase (IDH2) R140Q homodimer (PDB 5I96)

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Protein Data Bank Exercise. Exemestane bound to aromatase (PDB 3S7S)

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Protein Data Bank Exercise. KPT8602 bound to exportin - CRM1-Ran-RanBP1 (PDB 5JLJ)

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Protein Data Bank Exercise. Methotrexate bound to human dihydrofolate reductase (PDB code 1U72)

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Protein Data Bank Exercise. Olaparib crystallised with the catalytic domain of PARP1 (PDB 7KK4)

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Protein Data Bank Exercise. Oxaliplatin PDB 1PG9

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Protein Data Bank Exercise. Talazoparib with catalytic domain of PARP1 PDB code 7KK3

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Protein Data Bank Exercise. Vorinostat PDB 4LXZ

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Protein Data Bank Exercise. Alpelisib bound to lipid kinase PI3K alpha (PDB 4JPS).

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Protein Data Bank Exercise. Abemaciclib (PBD 5L2S)

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Protein Data Bank Exercise. Brigatinib bound to ana[lastic lymphoma kinase (ALK) (PDB 6MX8)

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Protein Data Bank Exercise. Crystal structure of MEK1 kinase bound to GDC0973 (Cobimetinib) (PDB 4LMN)

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Protein Data Bank Exercise. Crizotinib bound to human anaplastic lymphoma kinase (ALK) (PDB 2XP2)

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Protein Data Bank Exercise. Entrectinib bound with ALK kinase (PDB 5FTO)

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Protein Data Bank Exercise. Erdafitinib bound to fibroblast growth factor receptor 1 (PDB code 5EW8)

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Protein Data Bank Exercise. Gefitinib PDB ID code 4WKQ

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Protein Data Bank Exercise. Ibrutinib crystallised with BTK1 (PDB code 5P9J)

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Protein Data Bank Exercise. Idelalisib bound to the p110 subunit of PI3K delta (PDB 4XE0)

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Protein Data Bank Exercise. Lorlatinib bound to anaplastic lymphoma kinase (ALK) (PDB 4CLI)

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Protein Data Bank Exercise. Osimertinib bound with EGFR_D770_N771insNPG/V948R

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Protein Data Bank Exercise. Pexidartinib bound to the FMS kinase domain (colony stimulating factor 1 receptor) (PDB code 4R7H)

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Protein Data Bank Exercise. Ponatinib bound to wild type (3OXZ) and mutated (3IK3) targets

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Protein Data Bank Exercise. Rapamycin bound to FKBP12 and human FRAP (mTOR) (PDB 1NSG)

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Protein Data Bank Exercise. Rociletinib bound with T790M mutant EGFR. PDB code 5XDK

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Protein Data Bank Exercise. Vemurafenib bound to BRaf (V600E mutant) (PDB 3OG7)

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Protein Data Bank Exercise. Tacrine PDB ID code 1ACJ binding to aromatic residues in the active site of acetylcholinesterase

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Protein Data Bank Exercise. Carvedilol PDB ID code 4AMJ

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Protein Data Bank Exercise. Salbutamol PDB ID code 7DHI

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Protein Data Bank Exercise. Crystal structure of the mu-opioid receptor bound to a morphinan antagonist

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Protein Data Bank Exercise. Crystal structure of Renin with inhibitor 10 (aliskiren) PDB ID code 2V0Z

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Protein Data Bank Exercise. Crystal structure of Human Angiotensin Converting Enzyme in complex with lisinopril PDB 1086

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Protein Data Base Exercises

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Chapter 1 Answer to End of the chapter questions

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Chapter 2 Answer to End of the chapter questions

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Chapter 1 End of the Chapter Questions for Students

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Chapter 10 'Chemical and process development' from An introduction to drug synthesis by G.L. Patrick (2015)

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Patrick, An Introduction to Medicinal Chemistry 7e Student Resources

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Chapter 20 MCQs

Web article 7: the design of indivanir

Web article 18: Nelfinavir

Web article 19 : tipranavir

Web article 20: modern chemistry techniques in medicinal chemistry

Web article 22: Case study on maraviroc a CCR5 antagonist for HIV treatment

Molecular modelling exercise 20.1

Molecular modelling exercise 20.2

Molecular modelling exercise 20.3

Molecular modelling exercise 20.4

Molecular modelling exercise 20.5

Molecular modelling exercise 20.6

Molecular modelling exercise 20.7