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From Molecules to Therapies
创建日期：2024-03-27 15:51:40
所属分类：化学chemistry
标签： MCHM3001
From Molecules to Therapies
MCHM3x01 Semester 1, 
From Molecules to Therapies
MCHM 3001 and 3901, Semester 1, 2023
Tutorial Exercise 1, week 7
Content covered: Lectures 1–11 (excluding Lecture 12 from week 7)
Work in pairs, consider each question, respond in empty fields, and volunteer your answers!
Q1. “Personalised medicine” is an approach to fine-tune therapeutics to disease states in
individuals.
a) What factors are relevant when attempting to develop “personalised medicine”?
b) Which methods do we employ to target each of those factors and
c) What is “integrative and Personalised Omics Profiling”?
d) Do you think that drug discovery research moves towards developing drugs that
mostly address a personalised medicine approach?
Q2. Mass spectrometry (MS) allows us to identify (and quantify) proteins from different
biological sources. The entirety of proteins mapped by MS is collated in the databases such
as the Human Protein Atlas. In order to identify a protein by MS we typically digest the
proteins enzymatically and analyse the fragments.
a) Why is it better to work on peptides than on native proteins?
b) What is Trypsin, what is its biological function and how do we make us of it in MS?
Q3. Explain the differences between occupancy-driven and event-driven pharmacology.
A) Omic profile of cell tissues, body fluids, and body surface and waste. All omes, age, gender,
temporal
B) Whole genome/transcriptome sequencing, (untargeted) proteome profiling, metabolome
profiling... L2 Page 29.
C) Collect L2 page 26 date together
D) Expensivie so slow
Occupancy: for targets which have high affinity binding sites (active sites).
Event: for targets which can’t be effectively inhibited by small molecules. Need PPI.
MCHM3x01 Semester 1, 2023 p. 2
Q4. Proteolysis targeting chimera therapies are on the rise and offer a novel way of
therapies.
a) Explain the mechanism behind PROTACs and
b) highlight some difficulties during PROTAC development.
Q5. C004019 is a PROTAC designed to target the intracellular hyperphosphorylated tau
(pTAU) and pTAU aggregates to treat tauopathies, such as Alzheimer’s disease. nTRD224 is
a ligand that was found to bind TDP-43, a major disease protein for ALS, that forms
neurotoxic protein aggregates also.
a) Describe for each drug if their effect occurs through occupancy-driven
pharmacology or event-driven pharmacology?
b) Using your knowledge of PROTAC design, explain how you would modify DT2216 to
target BCL-2.
Q6. Drug discovery and development doesn’t only rely on small molecule therapeutics but
makes use of peptide or protein and nucleic acid structures to find new therapeutics.
a) Explain how RNA can be used as therapies and give an example for each category
and
b) explain the pros and cons of mRNA modalities.
N
O
O
O
HN
CF3
N
OH
nTRD22
Molecular Weight: 413.40
A) Don’t need inhibit, just need binds with target, so don’t need large molecule. POI ligand (VHI,
Cereblon) MoA: L5 Page 16.
B) First E3 binding moieties not small molecule – peptidic agents – limited cellular uptake. Now
~1000 Da but potent and display in vivo activity. Dosing convenience and better biodistribution
because small(er) molecules.
Conformational requirement, avoid hook effect.
Big (500-1000 D), ont compliant with Ro5
A) Event-driven, occu
B)
MCHM3x01 Semester 1, 2023 p. 3
Q7. In vitro cell-based assays were historically performed in 2D models. More recently, 3D
models, including organoids, are being employed more widely.
a) What are the main differences between 2D and 3D models, and
b) Which assay type would you recommend for testing a library of small molecules
against a disease-relevant receptor in order to identify the most potent inhibitor?
Q8. Protein display methods can be used to display anything from peptides to whole
antibodies. You have learnt about cyclic peptide display for massive parallel screening and
phage display of e.g., Fabs in antibody development. Explain the process of “biopanning”
and why it allows to screen a large chemical space in a parallel rather than a linear
approach.
A) L6 Page 5
ASOs: block start of translation, or tag mRNA for degradation, or alter splicing (e.g. “exon
skipping”)
siRNA/miRNA: Important roles in gene regulation and innate defense against viruses through
gene silencing at the post-transcriptional level by targeting mRNA
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EARN 5 FE 825 IERG 5130 STAT 8178 EE161 ADS2 G54FUZ CS326 113B ECN 226 QBUS6860 ELEC3202 COMP9334 MGT11B MET CS 777 STA238 00099F Python SMM306 CMT206 EC116 SP MAST90084 CS480/680 BCPM0091 CMPT 300 ECON2209 FY20 STAT 432 CVEN9625 MATH1712 CMP9771M CMP3750M CIS 325 AI506 MAT344H1S MGT7180 PSTAT 160B CSYS5010 1D STAT 453/558 ME152B STA304H1F CSCI-128 ME428 CO3002 FINE 7640 COMP3234 ECSE 223 EE497 – 3D MATH5905 ECS648U ENG5009 MATH10242 EC665 A CPI221 ISOM5220 MACE40402 MGT B456F COMP9315 AFM 113 STAT 778 CS 564 MA231 CS 230 CS 124 COMP5511 CSC317 ITEC1010 ELEC207 INFT 3019 7CCMFM06 EE 161 5G ECLT5810 MATH 7349 CS526 O2 COMP90054 ELE00063M ACCT5034 ARC1015 CSCI 40 CSCI E40 FIN 524B CS 462 389COM CMT309 MFIN703 COMP4250 STA304 STA304H1S STA 1003 FIN 448 BUFN 732 CS520 CVEN3701 ECMT6006 PHAS0100 CSIT314 MDIA 5028 CSCI 2134 MAT 451 CMPT 459 STAT 457 INFO20003 COMP4141 IELE8066 F540 ECM9 CSE 6321 FIN 430 MATH3911 BFC5916 COMP1011 EEE 6209 STATS 240 CW3 COMP206 COMP1003 4331W ISE 530 CMPT 295 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MGMTMFE 405 25579 1ECE 273 M122 COMP4434 1ELEC ELEC5620M STAT0010 BFF2401 MXB361 MATH3811 CS330 CMT307 FIT1033 CptS 583 UP 431 MATH6005 AF5343 CS2435 ECOM30002 ES50061 CS 2506 ECMT6002 CODE 00099F MT4539 ESSAY ICM317 MATH1231 MFIT5010 BMA547 MATH334 CIVL2201 MATH39032 T-04 CIVE97119 EMESTER CAB302 CAB301 59PM STAT802 ISYS3412 RM3 COSC 2123 AcF 311 MATH2022 1FINAL 4CCS1PHC ICM 142 ENVS3023 Math 4023 I1 ACSE8 FIN B385F CS-275 STA 4109-01 A31021 EE140 MT1 EE124 ECO-6004B Inf2-IADS CS126 IS2184 UL18 MATH5092 ECOM009 COMP 6211 ELEC202 MKT3019 IAB230 FIT5046 584-S21 COMP3210 CO250 A29401 MATH 136 MGT6174 ECMT6007 DATA2001 MAT 443 MATH10222 PHDE0071 ELE00123M COSC1295 MAT00045H MATH32032 1004GRC MAS223 COMP10001 DATA3404 CIVL2110 STAT2008 FNCE10002 EEE6431 COM6515 COMP9120 NBS8185 ECTE942 ECON 405 MATH314301 STAT 2011 COMPSCI 350 COMP20007 CMPSC-132 ECON5002 STA 35 MTH6108 FIT5147 MTH6150 100C FINA 5260 DESC9115 ECON4998 NBS8257 GMM ECON 6070 BSA2 ECE599 STATS 102B STA120 INFS601 BFC3241 MATH20602 COMP532 MAS275 COMP5318 COMP4002 FIT5086 MAST20004 FIT3152 FIT5129 CIS2380 CS521 COMP 1005 EECMS CITS5501 ECE 462 ECON 6002 ENG 4051 CSC 648 CMT654 MECHENG 713 PHYS1002 AMME 2000 FP0060 DDES3200 MECHENG 743 BINF90002 FIT2081 ISYS90081 ELECTENG 722 BUS 360 ECOS3010 BUS2810 ETF2100 ENG2048 STAT5002 COMP2017 CEME 2003 MATS3004 COMP9319 PHYS1001 COMP5349 AMME2261 COMP-381 FIT3173 COSC2757 ENG4025 QBUS2820 COMP9414 MATH2021 EOSC118 MFIN6690 PMATH 321 CSE-141L MATH575A COMPSCI5002 COMP1511 management comp2123 FINS3616 COMP 3331 COMS30034 DTSC 71 AcF 702 AcF702 DTSC71 MAT021 ELE8083 ACFI213 EG-127J 127J FIT5163 FIT2001 ELE00113M CMT310 CS 245 ENGL 1101 MTH6115 EE497 CS 325 Math 124A MTH5130 MBA502 MGT 5380 ARCH 1261 F033800 20LLP109 ELE4009 FINANCIAL COMP3331 Computer ECE4179 20T3 COMP9311 COMP9311 UNSW MFIN6210 ACCT 5930 EE590 ENG2029 ECO100 SIT315 ACCT3610 COMP3600 STK2100 FIT2004 COMP30020 ACTL1101 Stat 101B BANA 200 COSC2473 ENGG1400 AI COMP90043 MMF 1914H PHYS 127 CS584 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MOEC0021 STA 106 ENGG 1300A ENGG 1300 OLET1139 STAT 3503 STAT 206 FEM11149 ELEN 4720 COMP20003 SOLA1070 CS574 C11CS LINB29H3 MAST90083 ECON7200 STAT 610 LINB29 DSM-5 COMP3161 EEEN40010 MATH 4431 K353 STA 3386 IERG4300 COMS W4167 ENG5298 AMME 2302 CS3910 COMPSCI 320 STATS 369 GR5242 COSC 328 CSCI435 MGTS1301 INFS2200 COMP3900 CIS 375 Module AE03 COMP3121 CS260 HAM503 MGMT5050 INT3075 COSC 285 GEOL0029 GEGE2X01 STAT1201 MATH1061 MMF1941H STAT 5060 CS 520 COMP 4320 MSIN0104 000T FINS3648 ECMT2160 ECON4003 Phys 129L CSE 142 CS 3130 MGEB01 EECS 340 Finance (20443/20444) ECMM149 COMP5310 EEEN60180 CSC 111 AT2 CSCI 4430 STAB57 MA/CSC 427 MATH322 D100 CSCI544 CITS3004 CI6227 CSE 565 APCO 1P01 852L1 ELEC S411F COMP3207 STATS330 ECON7530 FIT5149 CSI4104 CMPT 371 COMP201 SEHS4696 FI4003 MATH6182 CG1 WS MATH401 MGT 205 QTM 110 COMP 0137 MACE12201 FIT5210 ECE 544 BISM7206 HUDM 6055 ECON3203 STATS 210 MSCI 570 MATH6173 COMPSCI4039 Accounting COM3503 AOE2024 ECON213 PSYC10004 Control Data 100/200A PHIL2617 PHYS3116 MIE250 BCPM0008 ECN 620 QBUS6830 ECSE-415 ECON5102 MGMT20005 MAT 653 ECO 480 COMP 5/600 CSSE 5600 ME 571 7CCMMS61 CS 550 COMP2865 MATH3075 STATS 506 QTM 220 ISYS2120 FIT5106 STAT 153 MKTG3112 ECON2102 ELE2018 COMP3031 MSIN0010 SCC461 MATH237 CS246 CSC3065 CSE 101 ICTWEB411 COMP9313 ECOS 2025 FN620 MATH11111 MATH 3018 KE1068 FINA 6112 C++ MISM 6202 MSIN0105 CSC8631 MECO6935 COMP4121 ACCT2011 DPBS1150 EEL 3701C F19PL OPM 661 CSE 310 CS918 BIOL30001 ACCT3563 BANK3600 MET CS622 MATH367 ACCT5907 Continuing COMP5048 COMP61021 CS3334 GSOE9210 CSCI-570 COMP 5322 HW 2 ALY-6020 IEOR 4706 DATA 200 EBUS504 CGE12412 COMP4108 7SSMM800 ECMM171P MATE50002 CS225 RS 6003 BH2274 ELEC3111 MAT6669 ECON-UA 227 PHIL 1012 7SSMM603 TB028A P6 ECS708 CSC 427 CS6476 CSE 250A A1A2 ITS61504 EECS 376 model HW6 UV0010 ECON 6074 MG4F7 CMP-7030Y INFO3008 BFIP013 ECON 5068 MATH6002 CS3483 PSTAT 131 C31FM CSOR W4246 AAEC 5307 DATA ELEC362 COMSM0047 ECN6006 MA20224 BST351 MATH 323 MATH323 AA2021 COMP3811 COMP2013 IB9X60 INVP001 EMATM0051 COMP220 BLAW1002 E20 TCP8001 ECON61001 EART40005 ECONM1022 MATH 365 MATH 367 ELEC6218 COMP 5812M EDUC 5061M ELEC ENG 1101 equation MATH6174 ST334 C4 EC9570 A33648 EBUS603 ECON47815 stata WFMS0001 PEM102 INF6060 ionically ELECTRICAL MATH 375 MMW 12 MKTG860 ECON60401 ALY6010 SOST20131 Introduction COM3524 MME2 GGR305 JNB 538 EECS101 COMM5030 IEOR E4601 2B CSC336 EN2315 LAW 432 CSC263 MATH2001 OLET1143 CSCB63 SIT772 COMM1170 STAT 441 MS930 INFT3050 GLBH0030 Stat 120B MAST10007 MGEC61 Machine GGR 252H1S ECON7030 Financial Marketing MGMT30019 ECON5120 SDSC 8009 CSC165H1S DSCI 551 3081W ACM41000 ECA 5304 MATH 1064 ECSE444 DATA 604 COMP7105 MIE1615 ECON4004 ENV200H1S EC481 MKT 306 EC1B1 MATH08051 ALY6140 CS260C CSE30 MSIN0226 CS4103 CSC3064 AM16 COMP11212 CSE4101 PSTAT 174 Math 380W CNT 5106C STAT 310 FIN2028 CS5014 STAT 425 COMP 4102A ELEC2140 MANF9544 QRM 9 QRM 8 ECON 457 COMPSCI 4091 MATH 523 DNSC-4211 PEAS 6000 MSIN0180 COMP2119 A2A HT 2022 IB93F0 MAS316/414 ACCT2522 MSIN0181 ATMS 201 COMP3425 MATH7861 SOLA2060 MA 325 7CCEMCTH ECON 432 INFT2051 SOLA 2060 ECOS2002 Stats141XP BIOA02H3 S2022 MA4601 K5 COMP5329 EG 284 IB3A70 WECO1020 COMP3027 Energy ACS61011 MAST20026 STAT 533 MATA31 ENVS257 BEM2031 EC 486 COMP0172 CS3214 EECE5644 IB2B20 COSC2536 COSC1147 COMP6214 5CCM242A COMP0130 AMME2000 MTMG50: EG238 ACF6006 QBUS2810 COSC2391 ECON7560 MATH377 STA305 CS 486 COMP1117B EL648 ELEC3909 ECON 241 COMP 4901W BUSI4428 ENEN20002 ENGN4524 ELEC3115 CSC 413 PSYC 100B ECON1002 MATH256 ANSC20005 MTHS2008 MATH40082 COSC 2406 FIT3174 STA 238 CMT202 Differential Equations MTHM017 GARCH 101 MATH2069 CSC336S ACSC12 ETF2121 CEME 2001 DB B474F ARHT1001 EECS 3311 3220 STATS 786 CS 484 COMP20008 MATH4091 ECE 455 CSCI 204 BUS B200F BA 875 BU5562 COSC 1147 X11 GEOG 101 IMM250F CSE 584A MATH38172 LAB 4 ELEC5882M FINS5523 EE 430 COMP 465 6CCS3PRE 7CCSMNSE FINANCE ACMB02H3 ENGG2112 ELEC5616 SCM B371 CHEM3120 CS22 ECMT2130 MAST30011 ADSPBF706 CENG0013 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