AcOEt	ethyl acetate
ADMET	Absorption, Distribution, Metabolism, Excretion and Toxicity
AHR	Aryl hydrocarbon receptor
ATCC	American Type Culture Collection
B16-F10	cell lines from origin of melanoma
CC	column chromatography
CDCl3	deuterated chloroform
CRM1	Exportin-1
CTD2	Cancer Target Discovery and Development
DMEM	Dulbecco′s Modified Eagle′s Medium
DMSO-d6	Dimethyl sulfoxide-d6
DUSP3	Receptor-interacting serine/threonine-protein kinase 2
EC	Esophageal Cancer
$\overline{F_i}$	Average normalized score of target i
FITC	Fluorescein isothiocyanate
FSi	fluid-structure interaction
FTIR	Fourier Transform Infrared Spectroscopy
GSTP1	Glutathione S-transferase P
HRMS	High Resolution Mass spectra
HEP-G2	cell lines from origin of hepatocarcinoma
HT-29	cell lines from origin of colon adenocarcinoma
Hz	Hertz
IC50	inhibitory concentration 50%
1H NMR	Hydrogen Nuclear Magnetic Resonance
13C NMR	Carbon Thirteen Nuclear Magnetic Resonance
INCA	National Cancer Institute
i-th	Target
KBr	Potassium bromide
M	Number of target fishing algorithms
MCL1	Induced myeloid leukemia cell differentiation protein Mcl-1
MD	Molecular Dynamics
MD-based	Molecular Dynamics-based
MHz	Megahertz
MMP2	72 kDa type IV collagenase
MP	Melting points
MTOR	Serine/threonine-protein kinase mTOR
MTNR1B	Melatonin receptor type 1B
MTT	3,4,5-dimethiazol-2,5-diphenyltetrazoliumbromide
N	Number of methods identifying
N.D.	not determined
NFKB	Nuclear factor NF-kappa-B p105 subunit
NIH	National Institutes of Health
NP-40	Tergitol Type NP-40
OSCC	Oral Squamous Cell Carcinoma
PBS	Phosphate buffered saline
P.I.	propidium iodide
PI3K	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
PyBOP	(Benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate
RELA	Transcription factor p65
Rf	Retardation factor
RIPK2	72 kDa type IV collagenase
SAR	STRUCTURE ACTIVITY RELATION
SAS	Tongue squamous cell carcinoma cell line.
STAT3	Signal transducer and activator of transcription 3
SCC	Squamous Cell Carcinoma
SCC4	Squamous Cell Carcinoma—4
SCC9	Squamous Cell Carcinoma—9
S.I.	selectivity index
S.D.	standard deviation
TLC	thin layer chromatography
V-FITC	ANNEXIN V-FITC