Tag Archives: human well-being

Hydroxyapatite-polymethylmethacrylate dental implant in silico


J Pharm Pharmacogn Res 9(5): 746-754, 2021.

Original article

A bioinformatic approach of hydroxyapatite and polymethylmethacrylate composite exploration as dental implant biomaterial

[Un enfoque bioinformático de la exploración con compuestos de hidroxiapatita y polimetilmetacrilato como biomaterial de implantes dentales]

Chiquita Prahasanti1, Alexander Patera Nugraha1,2*, Viol Dhea Kharisma3, Arif Nur Muhammad Ansori4, Rini Devijanti Ridwan1, Tansza Permata Setiana Putri1, Nastiti Faradilla Ramadhani5, Ida Bagus Narmada1,2, I Gusti Aju Wahju Ardani1,2, Tengku Natasha Eleena Binti Ahmad Noor6

1Dental Implant Research Group, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia.

2Department of Orthodontic, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia.

3Department of Biology, Faculty of Mathematic and Natural Science, Brawijaya University, Malang Indonesia.

4Department of Biology, Faculty of Science and Technology, Universitas Airlangga, Surabaya, Indonesia.

5Graduate Student of Dental Health Science, Universitas Airlangga, Surabaya, Indonesia.

6Dental Officer of 609 Armed Forces Dental Clinic, Kuching, Sarawak, Malaysia.

*E-mail: alexander.patera.nugraha@fkg.unair.ac.id

Abstract

Context: The most common biomaterial used for dental implants is titanium. However, the release of metal ions and the risk of allergic reactions to metals that may occur in some patients cannot be avoided. Hydroxyapatite-polymethylmethacrylate (HA-PMMA) composite biomaterials are proposed to have potential as dental implant biomaterials due to their mechanical, chemical, and biological properties. HA-PMMA may induce osseointegration, biocompatible, less allergic reactions, and no metal ions released. In addition, HA-PMMA can be obtained from Indonesia’s abundant natural resources.

Aims: To explore HA-PMMA composites through molecular docking as a biomaterial candidate for dental implants in silico.

Methods: Structure data format (sdf), molecular weight, and identity number (CID) of HA-PMMA ligand samples were obtained from PubChem database and minimized through OpenBabel. 3D structure, selection method, resolution, atom count, weight, sequence length, and ID protein BMP2, BMP4, BMP7, alkaline phosphatase (AP), osteonectin, osteopontin, and osteocalcin on RCSB-PDB native ligand and water sterilization on PyMol were carried out with the aim of to maximize the formation of binding affinity during molecular docking simulations.

Results: HA-PMMA composites can enhance the activity of proteins associated with osseointegration such as BMP-2/4/7, AP, osteocalcin, osteonectin, and osteopontin in silico. HA-PMMA composites have the strongest binding to osteonectin and are predicted to enhance the AP activity in silico.

Conclusions: HA-PMMA composites are potential candidates for dental implant biomaterials with the osteointegration ability through binding with BMP-2/4/7, AP, osteocalcin, osteonectin, and osteopontin in silico.

Keywords: biomaterials; composite; human well-being; hydroxyapatite-polymethylmethacrylate; in silico; osseointegration.

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Resumen

Contexto: El biomaterial más común utilizado para implantes dentales es el titanio. Con este no se evita la liberación de iones metálicos y el riesgo de reacciones alérgicas a los metales que pueden ocurrir en algunos pacientes. Se propone que los biomateriales compuestos de hidroxiapatita-polimetilmetacrilato (HA-PMMA) tienen un potencial como biomateriales de implantes dentales debido a sus propiedades mecánicas, químicas y biológicas. HA-PMMA puede inducir osteointegración, reacciones biocompatibles, menos alérgicas y sin liberación de iones metálicos.

Objetivos: Explorar los implantes HA-PMMA a través del acoplamiento molecular como biomaterial candidato para implante dental in silico.

Métodos: Formato de datos de estructura (sdf), peso molecular y número de identidad (CID) de muestras de ligando HA-PMMA se obtuvieron de PubChem y se minimizaron a través de OpenBabel. Estructura 3D, método de selección, resolución, recuento de átomos, peso, longitud de secuencia e identificación de proteínas BMP2, BMP4, BMP7, fosfatasa alcalina (AP), osteonectina, ostepontina y osteocalcina en ligando nativo RCSB-PDB y esterilización de agua en PyMol fueron desarrollados con el objetivo de maximizar la formación de afinidad de unión durante las simulaciones de acoplamiento molecular.

Resultados: Los implantes de HA-PMMA pueden potenciar la actividad de proteínas asociadas con la osteointegración como BMP-2/4/7, AP, osteocalcina, osteonectina y osteopontina in silico. Los implantes de HA-PMMA se unen fuertemente a la osteonectina y podrían mejorar la actividad AP in silico.

Conclusiones: Los implantes de HA-PMMA son candidatos potenciales para implantes dentales con capacidad de osteointegración por la unión con BMP-2/4/7, AP, osteocalcina, osteonectina y osteopontina in silico.

Palabras Clave: bienestar humano; biomateriales; hidroxiapatita-polimetilmetacrilato; implante; in silico; osteointegración.

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Citation Format: Prahasanti C, Nugraha AP, Kharisma VD, Ansori ANM, Ridwan RD, Putri TPS, Narmada IB, Ardani IGAW, Ramadhani NF, Noor TNEBA (2021) A bioinformatic approach of hydroxyapatite and polymethylmethacrylate composite exploration as dental implant biomaterial. J Pharm Pharmacogn Res 9(5): 746–754.

© 2021 Journal of Pharmacy & Pharmacognosy Research (JPPRes)