100 REM -LOCKEY - STUDY OF COMPETITIVE INHIBITION OF THE ENZYME 110 REM ACETYLCHOLINESTERASE FOR APPLICATION TO LOCK AND KEY MODEL 120 REM COPYRIGHT 1971 - STATE UNIVERSITY OF NEW YORK 130 REM PROGRAM DEVELOPED BY J. FRIEDLAND AND B. ROSEN 140 REM PROGRAMMED BY D. SOBIN AND J. FRIEDLAND 8/71 150 REM LATEST REVISION 8-25-72 160 PRINT "LOCKEY- A COMPETITIVE INHIBITION STUDY OF THE ENZYME" 170 PRINT "ACETYLCHOLINESTERASE FEATURING THE LOCK AND KEY HYPOTHESIS" 180 PRINT 190 PRINT "DO YOU WISH INSTRUCTIONS? (1=YES, 0=NO)"; 200 INPUT Q 210 IF Q=0 THEN 610 220 IF Q<>1 THEN 190 230 PRINT 240 PRINT " YOU ARE CONDUCTING AN INVESTIGATION OF THE ENZYME" 250 PRINT " ACETYLCHOLINESTERASE. FROM THE NAME YOU CAN TELL" 260 PRINT " THAT THIS ENZYME WORKS ON THE CHEMICAL ACETYLCHOLINE." 270 PRINT " IT BREAKS ACETYLCHOLINE INTO ACETIC ACID AND CHOLINE." 280 PRINT 290 PRINT " WE WANT TO INVESTIGATE WHICH INHIBITOR IS THE MOST" 300 PRINT " EFFECTIVE IN SLOWING THE NORMAL ACTION OF THE ENZYME." 310 PRINT " THIS WILL GIVE US VALUABLE INFORMATION ON ITS ACTION." 320 PRINT 330 PRINT " THE CODE FOR THE INHIBITORS IS:" 340 PRINT 350 PRINT " 1= AMMONIUM" 360 PRINT " 2= DIMETHYLAMINE BE SURE TO CONSULT" 370 PRINT " 3= METHYLAMINE THE IMPORTANT STRUCTURAL" 380 PRINT " 4= PROSTIGMINE FORMULAE LISTED IN THE" 390 PRINT " 5= TRIMETHYLAMINE INFORMATION PACKET" 400 PRINT " 0= NO INHIBITOR" 410 PRINT 420 PRINT " IN THIS STUDY YOU CAN CONTROL:" 430 PRINT " THE AMOUNT OF ACETYLCHOLINE" 440 PRINT " THE TYPE OF INHIBITOR" 450 PRINT " AND THE AMOUNT OF INHIBITOR" 460 PRINT 470 PRINT "BY COMPARING THE STRUCTURE OF ACETYLCHOLINE WITH" 480 PRINT "THE STRUCTURE OF THE FIVE INHIBITORS YOU SHOULD" 490 PRINT "BE ABLE TO MAKE A HYPOTHESIS AS TO WHICH OF THE " 500 PRINT "FIVE INHIBITORS WILL BE THE MOST EFFECTIVE" 510 PRINT 520 PRINT " REMEMBER: INCLUDE YOUR KNOWLEDGE OF THE" 530 PRINT " LOCK AND KEY MODEL OF ENZYME ACTION." 540 REM S1=AMOUNT OF SUBSTRATE 550 REM P1=AMOUNT OF PRODUCT AT TIME T1 560 REM V=VELOCITY OF REACTION IN MILLIMOLES/.002 MIN 570 REM M=MAX VELOCITY AT GIVEN ENZYME CONCENTRATION 580 REM K1=MECHAELIS-MENTEN CONSTANT 590 REM K2=BINDING CONSTANT OF INHIBITIOR 600 REM I=CONCENTRATION OF INHIBITOR 610 LET N=1 620 PRINT 630 READ T,P1,C,K1,M,X,V 640 DATA 0,0,0,9E-5,3E-3,1000,0 650 PRINT "*******************************************************" 660 LET T1=0 670 PRINT 680 PRINT "AMOUNT OF ACETYLCHOLINE - FROM 0 TO 3 MILLIMOLES"; 690 INPUT S1 700 IF S1>3 THEN 680 710 IF S1<0 THEN 680 720 IF S1>0 THEN 750 730 PRINT "NO REACTION IS POSSIBLE WITHOUT SUBSTRATE" 740 GOTO 1470 750 LET S1=S1/1000 760 LET S2=S1 770 PRINT "TYPE OF INHIBITOR - USE CODE FROM 0 TO 5"; 780 INPUT K2 790 IF K2<>INT(K2) THEN 770 800 IF K2>5 THEN 770 810 IF K2<0 THEN 770 820 IF K2=0 THEN 1060 830 IF K2<4 THEN910 840 IF K2=4 THEN 880 850 REM CODE 5= TRIMETHYLAMINE 860 LET K2=2.6E-3 870 GOTO 1010 880 REM CODE 4= PROSTIGMINE 890 LET K2=1.6E-5 900 GOTO 1010 910 IF K2>=2 THEN 950 920 REM CODE 1 = NH3 930 LET K2=.9 940 GOTO 1010 950 IF K2=2 THEN 990 960 REM CODE 3= METHYLAMINE 970 LET K2=.12 980 GOTO 1010 990 REM CODE 2= DIMETHYLAMINE 1000 LET K2=2.1E-2 1010 PRINT "AMOUNT OF INHIBITOR IN MILLIMOLES"; 1020 INPUT I 1030 LET I=I/1000 1040 IF I<0 THEN 1010 1050 IF I<>0 THEN 1080 1060 LET K2=1 1070 LET I=0 1080 LET K=K1+(K1*I/K2) 1090 PRINT "DATA FORMAT: 1=TABLE, 2=GRAPH"; 1100 IF N<>1 THEN 1120 1110 PRINT " TYPE NUMBER OF CHOICE"; 1120 INPUT Q 1130 IF (Q-1)*(Q-2)<>0 THEN 1090 1140 IF Q=1 THEN 1290 1150 GOTO 1630 1160 IF Q=2 THEN 1670 1170 GOTO 1340 1180 IF T1=X THEN 1390 1190 FOR T=T1+1 TO T1+50 1200 REM FOLLOWING EQN EQUIV. TO V=M*S/S+K1(1+I/K2) = M-M EQN 1210 LET V1=(M*S1)/(S1+K) 1220 LET V=(V+V1)/1000 1230 LET S1=S1-V 1240 LET P1=P1+V 1250 LET V=V1 1260 NEXT T 1270 LET T1=T1+50 1280 GOTO 1160 1290 PRINT 1300 PRINT 1310 PRINT"MINUTES ACETYLCHOLINE TOTAL ACETIC" 1320 PRINT"ELAPSED REMAINING ACID PRODUCED" 1330 PRINT"------- ------------- -------------" 1340 PRINT (T1)/500, INT(S1*10^5+.5)/100,INT(P1*10^5+.5)/100 1350 IF INT(S1*10^5+.5)/100<=0 THEN 1370 1360 GOTO 1180 1370 PRINT " THE REACTION HAS RUN TO COMPLETION" 1380 GOTO 1450 1390 PRINT "DO YOU WANT TO CONTINUE THE ASSAY? (1=YES, 0=NO)"; 1400 INPUT Q2 1410 IF Q2=0 THEN 1450 1420 IF Q2<>1 THEN 1390 1430 LET X=X+500 1440 GOTO 1190 1450 PRINT 1460 PRINT "CONCENTRATION OF INHIBITIOR REMAINING:"I*1000;"MILLIMOLES" 1470 PRINT 1480 PRINT "ANOTHER EXPERIMENT? (1=YES, 0=NO)"; 1490 INPUT Q 1500 IF Q=1 THEN 1600 1510 IF Q<>0 THEN 1480 1520 PRINT 1530 PRINT 1540 PRINT 1550 PRINT 1560 PRINT 1570 PRINT 1580 PRINT 1590 STOP 1600 RESTORE 1610 LET N=N+1 1620 GOTO 620 1630 PRINT 1640 PRINT"MIN. MILLIMOLES ACETIC ACID PRODUCED" 1650 PRINT TAB(6);"0";TAB(30);INT(S2*10^3+.99)/2;TAB(55); 1655 PRINTINT(S2*10^3+.99) 1660 PRINT " I....I....I....I....I....I....I....I....I....I....I" 1670 PRINT (T1)/500;TAB(5);"I";TAB(P1*10^3/INT(S2*10^3+.99)*50+6.5); 1675 PRINT"*"; 1680 PRINT INT(P1*10^5+.5)/100 1690 GOTO 1350 1700 END *U*) 3