5-FU	5-fluorouracil
A2780	Ovarian cancer cell line
A375	Melanoma cell line
A549	Lung adenocarcinoma cell line
ABC	ATP-binding cassette
ANOVA	Analysis of variance
ATCC	American Type Culture Collection
BA	Binding affinity
Bax	Bcl-2-associated X-protein
BCL-2	B-cell leukemia/lymphoma-2
BCP	Bond critical point
BS	Binding sites
BxPC-3	Pancreatic cancer cell line
C32	Amelanotic melanoma cell line
Ca9-22	Gingival squamous carcinoma cell line
Caco-2	Colorectal adenocarcinoma cell line
CC50	The half maximal cytotoxic concentration
CCD841CoTr	Normal colon epithelial cell line
DFT	Density functional theory
DMEM	Dulbecco’s modified Eagle medium
DMEM/F-12	Dulbecco’s modified Eagle medium/nutrient mixture F-12
DMSO	Dimethyl sulfoxide
DNA	Deoxyribonucleic acid
ECACC	European Collection of Authenticated Cell Cultures
ELISA	Enzyme-linked immunosorbent assay
EPG	Gastric adenocarcinoma cell lines
ESI-MS	Electrospray ionization mass spectrometry
ESP	Electrostatic potential
FBS	Fetal bovine serum
FT-IR	Fourier-transform infrared spectroscopy
HB	Hydrogen bond
hCA	Carbonic anhydrase
HepG2	Liver cancer cell line
HL-60	Leukemia cell line
HR-MS	High-resolution mass spectrometry
HT-29	Primary colorectal adenocarcinoma cell line
IARC	International Agency for Research on Cancer
IC50	The half maximal inhibitory concentration
IEF-PCM	Integral equation formalism–polarizable continuum model
IL-6	Interleukin 6
IL-1β	Interleukin 1β
ISO	International Organization of Standardization
K562	Chronic myelogenous leukemia (CML) cell line
LoVo	Colorectal adenocarcinoma cell line
LoVo/Dx	Doxorubicin-resistant colorectal adenocarcinoma cell line
MEM	Minimal essential medium
MCF-7	Breast cancer cell line
MCF-7/Dx	Doxorubicin-resistant breast cancer cell line
MCR	Multicomponent reaction
MDM-2	Murine double minute 2
MDR-1	Multidrug-resistant protein 1
MS	Mass spectrometry
MTT	3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide
MV	Molecular volume
NMR	Nuclear magnetic resonance
NUGC	Gastric cancer cell line
OVCAR-3	Ovarian cancer cell line
PBS	Phosphate-buffered saline
PC-3	Pancreatic cancer cell line
PES	Potential energy surface
P-gp	P-glycoprotein
QTAIM	Quantum Theory of Atoms in Molecules
RCP	Ring critical points
Rh-123	Rhodamine-123
SAR	Structure–activity relationship
SD	Standard deviation
SDS	Sodium dodecyl sulfate
SI	Selectivity index
SNB-19	Glioma cell line
TLC	Thin-layer chromatography
TMS	Tetramethylsilane
TRAIL	Tumor necrosis factor-related apoptosis-inducing ligand