Page 131 - EJMO-9-2

Eurasian Journal of Medicine and
Oncology
Anticancer effects of phytocomposites

Table 2. Log P values, total polar surface area values, bioavailability, gastrointestinal absorption, and the binding affinities of the
20 selected phytocompounds
Molecule ID Rule 1 Rule 2 Rule 3 Rule 4 Rule 5 Log P TPSA Bioavailability GI Binding affinity
ZINC87313354 Y Y Y Y Y 1.86 70.59 A 2 0.55 High −7.38
ZINC58224231 Y Y Y Y Y 2.28 61.36 A 2 0.55 High −7.25
ZINC94088045 Y Y Y Y Y 2.59 85.11 A 2 0.55 High −18.71
ZINC85651314 Y Y Y Y Y 3.58 94.85 A 2 0.55 High −7.26
ZINC94046548 Y Y Y Y Y 2.22 75.35 A 2 0.55 High −7.62
ZINC73848468 Y Y Y Y Y 1.81 62.22 A 2 0.55 High −7.65
ZINC86810909 Y Y Y Y Y 2.52 77.57 A 2 0.55 High −7.46
ZINC75223456 Y Y Y Y Y 2.35 49.33 A 2 0.55 High −7.76
ZINC91437757 Y Y Y Y Y 2.21 62.22 A 2 0.55 High −7.36
ZINC94241870 Y Y Y Y Y 1.77 122.39 A 2 0.56 High −15.75
ZINC32808915 Y Y Y Y Y 2.67 108.56 A 2 0.55 High −7.39
ZINC94993303 Y Y Y Y Y 2.09 95.15 A 2 0.55 High −7.16
ZINC69511953 Y Y Y Y Y 2.89 104.26 A 2 0.55 High −7.49
ZINC65591349 Y Y Y Y Y 2.69 61.36 A 2 0.55 High −8.07
ZINC66160667 Y Y Y Y Y 3.02 99.69 A 2 0.55 High −8.03
ZINC58227918 Y Y Y Y Y 3.28 81.43 A 2 0.55 High −7.36
ZINC12698794 Y Y Y Y Y 3.82 120.37 A 2 0.55 High −8.21
ZINC58181828 Y Y Y Y Y 3.17 81.43 A 2 0.55 High −7.7
ZINC58195891 Y Y Y Y Y 2.37 61.36 A 2 0.55 High −7.45
ZINC66161033 Y Y Y Y Y 2.75 94.38 A 2 0.55 High −8.09
Abbreviations: GI: Gastrointestinal absorption; TPSA: Total polar surface area.

genes, HRAS, KRAS, and NRAS, and is involved in the
regulation of cell division. These proteins play a key role in
determining the destiny of cells during cell cycle which is
37
a well-planned process that coordinates DNA replication,
cell development, and division. The cell cycle is crucial for
growth and sustenance of all living organisms, and any
disruptions in the cell cycle can eventually cause problems
in cell growth and differentiation.
The HRAS protein functions as a molecular switch,
cycling between active guanosine triphosphate (GTP)-bound
38
and inactive guanosine diphosphate (GDP)-bound states.
The switch mechanism is crucial for signal transduction,
promoting cell growth, differentiation, and proliferation
by activating downstream signaling proteins. This switch
mechanism has been found in a wide range of GDP/GTP-
Figure 3. The structure of the docked rat sarcoma virus protein and binding proteins, including heterotrimeric G-proteins,
the phytocompounds tecomaquinone I, brevilin A, erybraedin A,
evodiamine, and sumadain C bacterial elongation factors, and several small GTPases with
various biological activities. The transition from the inactive
GDP-bound form to the active GTP-bound form is facilitated
of the cancer cases. The RAS family of proteins, which by guanine nucleotide exchange factors. 39
includes small GTPases, is commonly involved in aberrant
signaling pathways. Binary proteins known as RAS The activation of HRAS is also influenced by post-
proteins are crucial components of signal transduction translational modifications such as farnesylation, palmitoylation,
pathways. The RAS protein family is encoded by three and ubiquitination. Farnesylation, catalyzed by farnesyl
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Volume 9 Issue 2 (2025) 123 doi: 10.36922/ejmo.7073