Antipain

DB15251

small molecule experimental

Deskripsi

Antipain is a serine/cysteine protease inhibitor originally isolated from various strains of actinomycetes.^A214481 Early studies investigated the potential for antipain to alter DNA damage and chromosomal aberrations in irradiated cells or those treated with chemical mutagens such as N-methyl-N'-nitro-N-nitrosoguanidine (MNNG).A214484, A214487

Antipain was used in 2010 to obtain a crystal structure of the Leishmania major oligopeptidase B (OPB), a serine protease that serves as a virulence factor in trypanosomatids.^A214490 The binding of antipain to OPB has been used in molecular dynamic studies to identify other OPB inhibitors with more favourable pharmacodynamic and pharmacokinetic properties for potential development as anti-trypanosomatid drugs.A214493, A214496

Struktur Molekul 2D

Berat 604.713

Wujud -

Peta Jejaring Molekuler

Obat Target Gen Interaksi Enzim Transporter Carrier

Legenda: Obat • Target • Gen • Enzim • (Panah → menunjukkan arah efek / relasi) • Transporter • Carrier

1. Pendahuluan & Konsep

Fitur visualisasi ini dikembangkan menggunakan pendekatan Graph Theory untuk memetakan hubungan polifarmasi dan molekuler. Entitas (Obat, Target, Gen) direpresentasikan sebagai Simpul (Nodes), sedangkan hubungan biologisnya sebagai Sisi (Edges).

2. Sumber Data (Validasi)

Data Obat: Diekstraksi dari elemen drugbank-id dan name pada skema XML DrugBank.
Target Protein: Diambil dari elemen targets/target yang memuat polipeptida sasaran.
Genetik: Disinkronisasi dari sub-elemen gene-name dan varian snp-effects.
Genetik: Jumlah titik node dibatasi pada maksimal 10 (Slice=10) interaksi untuk menghindari tumpukan data.

3. Algoritma Visualisasi

Tata letak grafik menggunakan algoritma Force-Directed Graph (Barnes-Hut). Model fisika ini menerapkan gaya tolak-menolak antar simpul (Gravitasi: -3000) agar tidak tumpang tindih, serta gaya pegas (Spring: 0.04) pada garis penghubung untuk fleksibilitas interaksi.

4. Legenda Visual

Obat Utama (Pusat Analisis)

Target Protein (Mekanisme)

Gen (Faktor Genetik)

Metode ini mendukung analisis Precision Medicine dan evaluasi risiko Drug-Drug Interaction (DDI).

Profil Farmakokinetik

Waktu Paruh (Half-Life) -

Volume Distribusi -

Klirens (Clearance) -

Absorpsi

Data absorpsi tidak tersedia.

Metabolisme

Data metabolisme tidak tersedia.

Rute Eliminasi

Data eliminasi belum tersedia.

Interaksi Obat

0 Data

Tidak ada data.

Referensi & Sumber

Artikel (PubMed)

PMID: 4559651
Suda H, Aoyagi T, Hamada M, Takeuchi T, Umezawa H: Antipain, a new protease inhibitor isolated from actinomycetes. J Antibiot (Tokyo). 1972 Apr;25(4):263-6. doi: 10.7164/antibiotics.25.263.
PMID: 2736713
Afzal V, Wiencke JK, Wolff S: Antipain-mediated suppression of X-ray-induced chromosomal aberrations in human lymphocytes. Carcinogenesis. 1989 Jul;10(7):1193-6. doi: 10.1093/carcin/10.7.1193.
PMID: 9726021
Isogai E, Ishijima S, Sonoda T, Kita K, Suzuki H, Hasegawa R, Yamamori H, Takakubo Y, Suzuki N: Protease activation following UV irradiation is linked to hypomutability in human cells selected for resistance to combination of UV and antipain. Mutat Res. 1998 Jul 17;403(1-2):215-22. doi: 10.1016/s0027-5107(98)00081-5.
PMID: 20926390
McLuskey K, Paterson NG, Bland ND, Isaacs NW, Mottram JC: Crystal structure of Leishmania major oligopeptidase B gives insight into the enzymatic properties of a trypanosomatid virulence factor. J Biol Chem. 2010 Dec 10;285(50):39249-59. doi: 10.1074/jbc.M110.156679. Epub 2010 Oct 5.
PMID: 28031079
Sodero AC, Dos Santos AC, Mello JF, DE Jesus JB, DE Souza AM, Rodrigues MI, DE Simone SG, Rodrigues CR, DE Matos Guedes HL: Oligopeptidase B and B2: comparative modelling and virtual screening as searching tools for new antileishmanial compounds. Parasitology. 2017 Apr;144(4):536-545. doi: 10.1017/S0031182016002237. Epub 2016 Dec 29.
PMID: 30795632
da Silva E Silva JV, Cordovil Brigido HP, Oliveira de Albuquerque KC, Miranda Carvalho J, Ferreira Reis J, Vinhal Faria L, Coelho-Ferreira M, Silveira FT, da Silva Carneiro A, Percario S, do Rosario Marinho AM, Dolabela MF: Flavopereirine-An Alkaloid Derived from Geissospermum vellosii-Presents Leishmanicidal Activity In Vitro. Molecules. 2019 Feb 21;24(4). pii: molecules24040785. doi: 10.3390/molecules24040785.

Contoh Produk & Brand

Produk: 0 • International brands: 0

Belum ada data produk/brand untuk obat ini pada database. Jalankan import DrugBank untuk mengisi field produk/brand.

Sekuens Gen/Protein (FASTA)

Sekuens dimuat saat dibutuhkan agar halaman tetap ringan.