1  REM  ****  HP BASIC PROGRAM LIBRARY  *******************************
2  REM 
3  REM        LOCKEY:  LOCK AND KEY MODEL OF ENZYME ACTION
4  REM
5  REM        36624 REV A -- 10/73
6  REM
7  REM  ****  CONTRIBUTED PROGRAM  ***************************************
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,.00009,.003,1000,0
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 THEN 910
840  IF K2=4 THEN 880
850  REM CODE 5= TRIMETHYLAMINE 
860  LET K2=.0026
870  GOTO 1010
880  REM CODE 4= PROSTIGMINE
890  LET K2=1.6E-05
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=.021
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  PRINT INT(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 
