Determination of Candidate Alternative Plant Actives for Dementia and Alzheimer’s  Disease Proteins through Docking Studies

Tuba Sevimoğlu; Vildan Atalay; Ayşenur Öztürk

Makale detayları

Determination of Candidate Alternative Plant Actives for Dementia and Alzheimer’s Disease Proteins through Docking Studies

Yazarlar:

Tuba Sevimoğlu | Vildan Atalay | Ayşenur Öztürk

Yayıncı:

Süleyman Demirel University

Ana Başlıklar:

Mühendislik

Dergi:

Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi Vol.27 Issue 2, pp.255-265

Belge Tipi:

Makale

Yayın Tarihi:

8/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001294055

pISSN:

1308-6529

Anahtar kelimeler:

Özet:

 Alzheimers disease AD is a common type of dementia, which is a progressive brain disorder causing memory, thought and behavioral issues. Effective therapeutic treatments for AD andor Dementia have not yet been developed. In this study select transcriptomic datasets were analyzed and disease proteins that comply with selection criteria were identified. These proteins were then docked with Donepezil, Galantamine, Memantine and Rivastigmine drugs as well as Thymus cilicius, Melissa officinalis, Salvia sclarea, Linum usitatissimum and Curcuma longa plant actives. Resulting binding energy values for mutant proteins are significantly different from wild type, especially in MET MET proto-oncogene, receptor tyrosine kinase PDB ID: 3ZXZ. The plant actives showed notable Relative Stability values when docked with wild type proteins in comparison to drug molecules. To conclude, Alpha-Muurolene, Alpha-Atlantone, Alpha-Cadinene, BetaBourbonene, Beta-Cubebene and Germacrene-D as candidate alternative plant actives have been suggested for these diseases.

 Alzheimers disease AD is a common type of dementia, which is a progressive brain disorder causing memory, thought and behavioral issues. Effective therapeutic treatments for AD andor Dementia have not yet been developed. In this study select transcriptomic datasets were analyzed and disease proteins that comply with selection criteria were identified. These proteins were then docked with Donepezil, Galantamine, Memantine and Rivastigmine drugs as well as Thymus cilicius, Melissa officinalis, Salvia sclarea, Linum usitatissimum and Curcuma longa plant actives. Resulting binding energy values for mutant proteins are significantly different from wild type, especially in MET MET proto-oncogene, receptor tyrosine kinase PDB ID: 3ZXZ. The plant actives showed notable Relative Stability values when docked with wild type proteins in comparison to drug molecules. To conclude, Alpha-Muurolene, Alpha-Atlantone, Alpha-Cadinene, BetaBourbonene, Beta-Cubebene and Germacrene-D as candidate alternative plant actives have been suggested for these diseases.

 Alzheimers disease AD is a common type of dementia, which is a progressive brain disorder causing memory, thought and behavioral issues. Effective therapeutic treatments for AD andor Dementia have not yet been developed. In this study select transcriptomic datasets were analyzed and disease proteins that comply with selection criteria were identified. These proteins were then docked with Donepezil, Galantamine, Memantine and Rivastigmine drugs as well as Thymus cilicius, Melissa officinalis, Salvia sclarea, Linum usitatissimum and Curcuma longa plant actives. Resulting binding energy values for mutant proteins are significantly different from wild type, especially in MET MET proto-oncogene, receptor tyrosine kinase PDB ID: 3ZXZ. The plant actives showed notable Relative Stability values when docked with wild type proteins in comparison to drug molecules. To conclude, Alpha-Muurolene, Alpha-Atlantone, Alpha-Cadinene, BetaBourbonene, Beta-Cubebene and Germacrene-D as candidate alternative plant actives have been suggested for these diseases.

 Alzheimer hastalığı AD, hafıza, düşünce ve davranış sorunlarına neden olan ilerleyici bir beyin bozukluğu olan yaygın bir demans türüdür. AD veveya Demans için etkili terapötik tedaviler henüz geliştirilememiştir. Bu çalışmada, bazı transkriptomik veri kümeleri analiz edilmiş ve seçim kriterlerine uyan hastalık proteinleri belirlenmiştir. Bu proteinler Donepezil, Galantamine, Memantine ve Rivastigmine ilaçlarının yanı sıra Thymus cilicius, Melissa officinalis, Salvia sclarea, Linum usitatissimum ve Curcuma longa bitki aktifleri ile kenetlenmiştir. Mutant proteinler için ortaya çıkan bağlanma enerjisi değerleri, özellikle METde MET proto-onkogen, reseptör tirozin kinaz PDB ID: 3ZXZ olmak üzere, vahşi tipten önemli ölçüde farklıdır. Bitki aktif maddeleri, ilaç molekülleri ile karşılaştırıldığında vahşi tip proteinlerle kenetlendiğinde dikkate değer Göreceli Stabilite değerleri göstermiştir. Sonuç olarak, bu hastalıklar için Alpha-Muurolene, Alpha-Atlantone, Alpha-Cadinene, Beta-Bourbonene, Beta-Cubebene ve Germacrene-D aday alternatif bitki aktif maddeleri olarak önerilmiştir.

Makale detayları

Determination of Candidate Alternative Plant Actives for Dementia and Alzheimer’s Disease Proteins through Docking Studies

Yazarlar:

Tuba Sevimoğlu | Vildan Atalay | Ayşenur Öztürk

Yayıncı:

Süleyman Demirel University

Ana Başlıklar:

Mühendislik

Dergi:

Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi Vol.27 Issue 2, pp.255-265

Belge Tipi:

Makale

Yayın Tarihi:

8/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001294055

pISSN:

1308-6529

Dementia

Alzheimer’s disease

Disease proteins

Plant actives

Drugs

DockingDemans

Alzheimer hastalığı

Hastalık proteinleri

Bitki aktifleri

İlaçlar

Kenetlenme

Sayı

Makale detayları

Yazarlar: Tuba Sevimoğlu | Vildan Atalay | Ayşenur Öztürk

Yayıncı: Süleyman Demirel University

Ana Başlıklar: Mühendislik

Dergi: Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi Vol.27 Issue 2, pp.255-265

Belge Tipi: Makale

Yayın Tarihi: 8/2023

Belge Dili: İngilizce

Document ID (Org No.): 2001294055

pISSN: 1308-6529

Sayı

Yazarlar:

Tuba Sevimoğlu | Vildan Atalay | Ayşenur Öztürk

Yayıncı:

Süleyman Demirel University

Ana Başlıklar:

Mühendislik

Dergi:

Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi Vol.27 Issue 2, pp.255-265

Belge Tipi:

Makale

Yayın Tarihi:

8/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001294055

pISSN:

1308-6529