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All Journal Biogenesis: Jurnal Ilmiah Biologi Prosiding Semnastek Indonesian Journal of Chemical Science Alotrop Jurnal Pendidikan dan Ilmu Kimia Jurnal Dharma Bhakti Ekuitas Praeparandi : Jurnal Farmasi dan Sains Jurnal Kesehatan Mahardika Indonesian Journal of Chemical Science
Rizkita, Aden Dhana
STIKes Bogor Husada
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Dentistry Economics, Econometrics & Finance Education Health Professions Immunology & microbiology Medicine & Pharmacology Nursing Physics Public Health Social Sciences Other

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In Silico Interaction Study of the Hydrazine Compound as an Antibody Drug Conjugate Linker Against Pertuzumab Ananda, Lintang Tri; Rizkita, Aden Dhana; Gibran , Syahrul Syah; Shapira, Shari Bella; Nour baety, Shelly Siti; Wafa, Shahibatul; Oksal, Efriyana
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

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Abstract

Breast cancer can be initiated, one way or another, by overexpression of the HER-2 protein which can induce dimerization, resulting in metastasis in breast cancer cells. Pertuzumab is one of the methods used to treat metastatic breast cancer that is breast cancer cells that the cancer has spread to other parts of the body. Hydrazine is something hydro nitrogen compounds that has the formula N2H4 molecule. The hydrazine compound has chemical characteristics as a strong reducing agent because hydrazine plays a role as donor group hydrogen can reduce double bonds into single bonds through reaction hydrogenation. Research purposes This is o see the bond between Hydrazine as a linker with pertuzumab as an antibody for development of Antibody Drug Conjugate in silico with molecular docking. The docking method is used to know the conformation and free energy ties involved in the interaction between molecule (pertuzumab) and its ligand (hydrazine). In silico molecular docking was carried out with a number of stages such as ligand preparation, preparation of macromolecules, validation molecular docking method, docking hydrazine with pertuzumab protein and intermediate data analysis optimized hydrazine compound with which pertuzumab protein the lower mark energy bond so the stronger and stable the bond that occurs between hydrazine compound and pertuzumab protein . Obtained the result of docking is in the form of binding affinity from the results of addition of pertuzumab protein with the hydrazine ligand which is -6.8 which shows conformation formed stable or does not require great energy To do binding. Visualization results from complex molecule hydrazine compound against pertuzumab protein own identical confirmation on the part side active binding from pertuzumab protein macromolecules . The hydrazine compound can be bonded with pertuzumab and has potential as a new drug development in the targeting antibody drug conjugate breast cancer.
Co-Authors Alwia, Nisa Amir, Rhamal Ananda, Lintang Tri Anis Herliyanti Ariska, Risya Arzanto, Adi Wahyu Ayu, Putri Diah Ayuchecaria, Noverda Azhari Firmansyah Baety, Shelly Siti Nour Chaidir Chaidir Dewi, Sintia Ayu Dwi Syah Fitra Ramadhan Dyan Septyaningsih Hardjono HP, Dyan Septyaningsih Edy Cahyono Emas Agus Prastyo Wibowo, Emas Agus Prastyo Fathimah Azzahra, Erica Ardhana Gibran , Syahrul Syah Gibran, Syahrul Syah Hafidz, Muhammad Rafi Ika Sri Hardyanti, Ika Sri Ilham Maulana Ilham Maulana ismiati, Silfia Isni Nurani, Isni Julianti, Nurlita Maulana, Iham Maulana, Khoironni Devi Maulidian, Yuda Nour baety, Shelly Siti Nurlita Julianti Oksal, Efriyana Rahmadhani Tyas Retno Agnestisia Reza Pratama Saputra Rhamal Amir Rochjana, Anna Uswatun Hasanah Rohman, Ayu Andini Rizki Lestari S Mursiti Saldaw, Antan Selay, Risma Eka Putri Shapira, Shari Bella Sintia Ayu Dewi Tampubolon, Mulani Jeni Lestari Taufik Muhammad Fakih Wafa, Shahibatul Wahyuni, Nisa Sri Yohanes, Kon