RV1463 OLASI KORUNMUŞ ATP BAĞLAYICI PROTEİNİN HESAPLAMALI YAKLAŞIMLA MOLEKÜLER TEMEL BÜTÜNLEŞTİRİCİ ANALİZİ

Öz

Amaç: Tüberküloz, patojeni olan Mycobacterium tuberculosis H37Rv'nin (M. tuberculosis) şiddetle değişen dinamiği nedeniyle yıllardan beri küresel bir salgın olmuştur. Bu patojenin durumu daha da kötüleşmektedir ve üstesinden gelmek zorlaşmaktadır. Bu yazıda, metal iyonunun plazma membranları boyunca taşınmasına yardımcı olan ve sonuçta bir elektrokimyasal gradyan oluşturan Mycobacterium tuberculosis H37Rv'nin (M. tuberculosis) ATP bağlayıcı proteini için hesaplama yaklaşımlarını kullandı. Rv1463, ATP bağlama motifi (WalkerA) (GXXXXGKS / T) ve (Walkera) (DEXXXXXD) içeren varsayımsal bir protein ve bu motiflerin ATP bağlama ve hidrolizleme aktivitelerindeki önemi üzerinde duruldu. ATP bağlanma özelliğini, transkripsiyonel düzenleyici protein ile etkileşime girerek ve etkileşimli bileşikler magnezyum (Mg) ve Adenosin di fosfat (ADP) ile gösterir.

Gereç ve Yöntem: Rv1463'ün yapısı SwissModel web sunucusu tarafından oluşturuldu ve AutoDock kullanılarak moleküler yerleştirme yapıldı.

Sonuç ve Tartışma: Mutasyonel analizde, D175 kalıntılarının protein yapısını değiştirebilecek tüm etkileşimlerde ortak olduğunu doğrulandı. Bu hesaplama yaklaşımları, bu hastalığın tedavisinde yeni stratejiler geliştirmede yardımcı olabilir.

Anahtar Kelimeler

• Moleküler kenetlenme
• Mycobacterium tuberculosis
• rv1463
• tüberküloz

MOLECULAR BASIS AND INTEGRATIVE ANALYSIS OF Rv1463 AS PROBABLE CONSERVED ATP-BINDING PROTEIN BY COMPUTATIONAL APPROACH

Öz

Objective: Tuberculosis as a global epidemic since years due to vigorously changing dynamics of its causal pathogen, Mycobacterium tuberculosis H37Rv (M. tuberculosis). This pathogen has worsened the situation therefore making it so challenging and hard to overcome. In this manuscript, we have used the computational approaches for ATP-binding protein of Mycobacterium tuberculosis H37Rv (M. tuberculosis) that helps in transportation of metal ion across the plasma membranes and resultant generating an electrochemical gradient. Rv1463 a hypothetical protein possessing ATP binding motif (WalkerA) (GXXXXGKS/T), and (Walker B) (DEXXXXXD) and significance of these motifs in ATP binding and hydrolyzing activities. It shows the ATP-binding property by interacting with transcriptional regulatory protein and showing the interacted compounds as magnesium (Mg) and Adenosine di phosphate (ADP).

Material and Method: The structure of Rv1463 has been build by the Swiss Model webserver and molecular docking was done using AutoDock.

Result and Discussion: In the mutational analysis which confirms that D175 residues was common in all interactions which may change the protein conformation. These computational approaches can be helpful in developing new strategies in treatment of this disease.

Anahtar Kelimeler

• Molecular docking
• Mycobacterium tuberculosis
• Rv1463
• tuberculosis

Teşekkür

The author Md. Amjad Beg also acknowledges University Grants Commission Maulana Azad National Fellowship for the support and Jamia Millia Islamia University.

Kaynakça

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