Table 7. Docking results of designed molecules on overexpressed proteins.

Sl. No/Code	EGFR			HSP90AA1			PAK1			RBX1
	PDB: 4UV7			PDB:5NJX			PDB: 3Q4Z			PDB: 3FN1
	Binding Energy	−Cdocker Energy	− Cdocker Interaction Energy	Binding Energy	−Cdocker Energy	− Cdocker Interaction Energy	Binding Energy	−Cdocker Energy	− Cdocker Interaction Energy	Binding Energy	−Cdocker Energy	− Cdocker Interaction Energy
AJA	−56.02	−10.57	18.17	−77.05	−6.93	21.66	−196.65	13.03	43.86	−113.94	5.61	37.90
ALE	−22.04	−17.45	10.55	−16.93	−16.44	12.00	−58.34	−2.81	24.49	−24.28	−9.71	18.84
ALO	−6.22	−25.19	8.57	−2.69	−24.11	9.65	−4.41	−19.09	14.60	−11.36	−18.02	15.96
ARA	−50.94	−28.62	19.50	−57.53	−18.31	26.43	−159.25	8.76	57.02	−83.85	−16.52	33.54
ARJ	−43.98	17.23	28.38	−39.56	18.14	25.73	−119.99	33.00	43.82	−39.87	26.58	31.46
ARG	−49.90	20.57	23.74	−61.58	22.29	25.37	−151.03	40.87	47.08	−7.21	−116.32	22.65
ANA	−65.59	−68.87	32.04	−89.71	−66.11	51.76	−245.05	−79.05	83.86	−61.60	21.05	41.01
ALL	−118.34	−47.02	34.21	−168.97	−50.42	39.91	−139.90	−23.49	62.54	−18.62	−15.64	14.90
CAR	−86.83	19.53	35.26	−45.09	19.64	36.45	−131.24	37.17	58.34	−48.59	−55.20	21.22
CAJ	−6.67	−21.05	9.42	−6.26	−20.34	10.30	−9.30	−16.06	13.09	−47.54	28.64	30.02
CAP	−35.79	−58.29	19.06	−42.81	−50.54	28.01	−172.32	−28.95	57.88	−6.63	−25.87	30.85
CAV	−65.69	22.19	25.24	−53.63	25.00	27.33	−136.49	43.84	47.47	−46.65	19.83	28.55
CHA	−4.05	−30.55	21.32	−35.08	−30.24	21.35	−107.73	−7.42	44.11	−27.07	13.28	14.79
CHL	−14.17	8.84	17.63	−49.92	15.28	24.60	−81.41	27.24	34.82	−80.66	−26.20	43.47
CIN	−50.02	12.60	14.67	−27.06	11.55	13.70	−92.97	18.99	21.39	−29.49	−17.74	24.17
CUR	−61.32	−38.90	27.73	−64.69	−22.71	40.68	−276.18	16.00	87.65	−61.40	18.48	32.45
ELL	−40.77	−22.62	18.69	−34.20	−24.49	16.72	−137.67	1.59	41.48	−73.55	20.96	35.11
EUG	−71.25	14.65	28.33	−71.08	13.46	27.19	−149.04	30.21	46.83	−40.14	−27.96	25.52
FER	−84.22	11.92	24.50	−38.93	14.41	25.46	−157.42	32.92	48.59	−74.77	−97.25	24.35
GIN	−26.63	−36.38	14.98	−51.74	−30.08	21.65	−135.45	−15.24	39.95	−47.21	14.33	17.68
GNS	−36.67	10.71	17.53	−41.60	12.11	20.48	−132.64	26.84	30.74	−84.78	−82.04	29.12
GYM	−41.53	−84.64	23.43	−52.36	−79.44	27.80	−110.88	−55.77	55.03	−78.34	−164.85	26.81
GYA	−75.68	−162.34	32.37	−86.27	−145.33	40.68	−160.78	−122.08	67.89	−75.89	20.89	41.44
GMT	−4.26	−99.21	17.86	−72.64	−91.68	25.64	−109.57	−79.81	40.10	−47.57	30.04	32.56
HYD	−68.08	19.53	34.12	−125.59	23.82	41.37	−158.25	41.54	59.92	−20.94	20.67	23.23
INO	−50.91	24.87	26.12	−43.89	24.42	27.14	−87.39	39.52	44.59	−28.20	15.41	23.15
LEU	−38.73	18.54	21.60	−26.25	15.39	18.10	−122.22	27.38	32.75	−48.37	26.66	39.62
LEP	−16.17	7.13	15.51	−21.35	8.09	16.21	−62.06	19.28	25.76	−31.27	18.48	20.64
LIR	−53.70	9.95	22.56	−84.07	18.36	27.30	−142.76	31.85	41.89	−29.11	−73.02	27.80
MAL	−58.66	21.70	30.45	−34.92	23.71	32.09	−138.59	36.48	50.57	−24.50	−15.13	18.76
MHC	−28.62	13.37	15.74	−32.04	13.89	16.17	−33.87	21.61	22.73	−40.19	−77.90	31.36
MYR	−22.60	−74.73	29.54	−51.69	−68.66	31.40	−94.78	−45.63	63.61	−48.31	20.69	36.63
NIM	−17.29	−20.00	11.23	−22.94	−18.68	12.75	−39.38	−11.59	19.23	−73.77	21.14	30.96
MPO	−26.31	−85.18	28.60	−27.95	−81.28	30.13	−62.20	−67.23	48.83	−49.69	−107.43	17.79
PHE	−52.17	12.68	21.80	−59.98	17.35	28.95	−140.57	34.70	49.40	−51.52	−95.45	20.50
PUN	−23.27	−121.88	26.67	−62.56	19.02	28.47	−100.15	27.33	36.00	−6.35	3.83	17.39
PUC	−22.94	−98.54	23.93	−110.98	−114.66	31.90	−147.91	−67.17	73.20	−25.35	−112.29	24.27
QUE	−25.04	−95.41	19.39	−29.38	−88.29	31.16	−182.08	−73.82	62.28	−119.62	14.22	41.65
SHA	−62.78	4.01	17.60	−97.71	−87.07	28.88	−133.51	−71.22	39.42	−38.98	22.34	28.18
SYR	−42.02	−112.72	18.53	−57.33	0.94	14.08	−111.64	16.61	30.08	−28.67	15.86	22.42
TER	−48.17	3.01	26.96	−45.14	−109.25	24.75	−88.49	−99.19	31.30	−55.95	20.86	33.04
TPN	−48.96	17.76	22.80	−58.53	5.58	30.24	−151.71	24.04	55.75	−38.43	15.22	28.09
VIC	−49.26	11.32	17.70	−60.62	17.96	23.33	−150.32	32.32	43.25	−15.63	21.72	55.13
GLY	−49.25	15.93	28.98	−46.36	9.39	14.16	−83.17	23.57	29.57	−25.71	18.79	28.22
MET	−35.21	18.35	32.89	−25.62	34.77	17.74	−196.65	13.03	43.86	−61.04	27.56	32.39