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Sains Malaysiana 50(5)(2021):
1433-1444
http://doi.org/10.17576/jsm-2021-5005-22
Study
on the Mechanism of Ginkgo Seeds in
Treating Bronchitis
by Network Pharmacology
(Kajian terhadap Mekanisme Biji Ginkgo dalam Rawatan Bronkitis menggunakan Rangkaian Farmakologi)
TINGTING WU1,2, LIHU ZHANG1,2,
DONGDONG LI1,2, TAO WU1,2, YAN JIANG2* &
LINGUO ZHAO1,2*
1Co-Innovation Center for
Sustainable Forestry in Southern China, Nanjing Forestry University, 159 Long
Pan Road, Nanjing 210037, China
2College of Chemical
Engineering, Nanjing Forestry University, 159 Long Pan Road, Nanjing 210037,
China
Received:
26 June 2020/Accepted: 25 September 2020
In recent years, with
the global environmental deterioration and air pollution, the incidence of
bronchitis has increased year by year, and the sales of anti-bronchitis drugs
are growing rapidly, mainly due to the long treatment cycle and the difficulty
of curing. Developing available traditional Chinese medicines with significant
curative effect against bronchitis would be a promising strategy; for instance, Ginkgo seeds, as the fruit of natural plant ginkgo, has
been used in ancient times to cure coughs. However, the detailed mechanism of
curing cough has not been shown yet. Investigate the mechanism of Ginkgo
Semen in the treatment of bronchitis by
establishing a series of molecular networks including active
ingredients-targets, proteins interactions, biological functions, pathway, and
biological processes of targets. In this study, the main active ingredients of Ginkgo
seeds and the potential targets related
to bronchitis could be obtained by retrieving corresponding database. The
molecular docking study between active molecules and protein targets was
performed by Glide 6.6. Subsequently, a total of forty potential targets were
manually selected. Based on this, the ingredients-target network was
constructed using Cytoscape software, as well as
proteins interactions network combing with the String database. Finally, the
molecular biological function, metabolic pathway, and biological processes of
these forty targets were analyzed by Clue GO plug-in. The results indicated
that these protein targets were closely related to lipid transport, positive
regulation of DNA replication, cAMP metabolic pathway, and other processes,
which played a vital role in the treatment of bronchitis by mediating
interleukin 17, fluid shear stress and atherosclerosis, asthma, renin
secretion, p53, and other signaling pathways. Among these targets, the two
protein ALB (Albumin) and DHRS2 (Dehydrogenase 2) can interact with compounds
more frequently, and the top three compounds ranked by the docking scores were
amentoflavone, (+)-catechin-5-O-glucoside, and liquiritin,
implying that these compounds might be used for the treatment of bronchitis. It
is obvious that the pharmacological effect of Ginkgo seeds on bronchitis displayed a characteristic of
multi-components, multi-targets, and multi-pathways. Nevertheless, the two
protein targets and three compounds derived from Ginkgo seeds could be further used for the explanation
for Ginkgo seeds in curing
bronchitis. This research can provide a scientific basis for studying on the
anti-bronchitis mechanism of Ginkgo seeds.
Keywords: Bronchitis; Ginkgo seeds; mechanism; molecular docking; network
pharmacology
ABSTRAK
Dalam beberapa tahun kebelakangan ini, dengan kemerosotan alam sekitar global dan pencemaran udara, penyakit bronkitis telah meningkat dari tahun ke tahun dan penjualan ubat-ubatan anti-bronkitis semakin pesat, terutamanya disebabkan oleh kitaran rawatan yang panjang dan kesukaran merawat. Pembangunan ubat-ubatan tradisi Cina yang sedia ada dengan kesan penyembuhan yang ketara terhadap bronkitis merupakan strategi yang baik, sebagai contoh, biji Ginkgo, biji semula jadi Ginkgo, telah digunakan dari zaman purba untuk mengubati batuk. Walau bagaimanapun, mekanisme yang terperinci bagi mengubati batuk belum dilaporkan. Mekanisme dalam rawatan bronkitis dikaji dengan menubuhkan satu siri rangkaian molekul, termasuk bahan-bahan aktif sasaran, interaksi protein, fungsi biologi, laluan dan proses biologi sasaran. Dalam kajian ini, bahan-bahan aktif utama biji Ginkgo dan sasaran yang berpotensi berkaitan dengan bronkitis telah diperoleh dengan mendapatkan semula pangkalan data yang sepadan.
Kajian dok molekul antara molekul aktif dan sasaran protein dilakukan dengan menggunakan Glide 6.6. Seterusnya, sejumlah empat puluh sasaran yang berpotensi dipilih secara manual. Berdasarkan ini, rangkaian bahan-bahan sasaran telah dibina menggunakan perisian Cytoscape, serta rangkaian interaksi protein yang menggabungkan pangkalan data rentetan. Akhirnya, fungsi biologi molekul, laluan metabolik dan proses biologi sasaran empat puluh ini telah dianalisis oleh Clue
GO plug-in. Keputusan kami menunjukkan bahawa potensi sasaran bronkitis berkaitan dengan bahan aktif biji Ginkgo memainkan peranan penting dalam rawatan bronkitis oleh mediating interleukin-17, tekanan ricih cecair dan aterosklerosis, asma, rembesan, p53 dan lain-lain laluan Sign. Antara sasaran tersebut, kedua-dua protein ALB (Albumin) dan DHRS2
(Dehydrogenase 2) boleh berinteraksi dengan sebatian dengan lebih kerap dan tiga sebatian teratas yang disenaraikan oleh skor dok adalah amentoflavone, (+)-catechin-5-O-glucoside dan liquiritin, membayangkan bahawa sebatian ini mungkin digunakan untuk rawatan bronkitis. Adalah jelas bahawa kesan farologi biji Ginkgo pada bronkitis memaparkan ciri pelbagai komponen, pelbagai sasaran dan pelbagai laluan. Walau bagaimanapun, dua protein sasaran dan tiga kompaun yang diperoleh daripada biji Ginkgo boleh diguna pakai untuk menjelasan peranan biji Ginkgo dalam mengubati bronkitis. Kajian ini boleh menyediakan asas saintifik untuk mempelajari mekanisme anti-bronkitis biji Ginkgo.
Kata kunci: Biji Ginkgo; Bronkitis; dok molekul; mekanisme; rangkaian farmakologi
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*Corresponding author; email: jiangyancpu@126.com
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