Structure-Guided Approach to Identify Potential Inhibitors of Large Envelope Protein to Prevent Hepatitis B Virus Infection
المؤلفون المشاركون
Mehmankhah, Mahboubeh
Bhat, Ruchika
Anvar, Mohammad Sabery
Ali, Shahnawaz
Alam, Aftab
Farooqui, Anam
Amir, Fatima
Anwer, Ayesha
Khan, Saniya
Azmi, Iqbal
Ali, Rafat
Ishrat, Romana
Hassan, Md. Imtaiyaz
Minuchehr, Zarrin
Kazim, Syed Naqui
المصدر
Oxidative Medicine and Cellular Longevity
العدد
المجلد 2019، العدد 2019 (31 ديسمبر/كانون الأول 2019)، ص ص. 1-14، 14ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2019-09-04
دولة النشر
مصر
عدد الصفحات
14
التخصصات الرئيسية
الملخص EN
Hepatitis B virus (HBV) infection is one of the major causes of liver diseases, which can lead to hepatocellular carcinoma.
The role of HBV envelope proteins is crucial in viral morphogenesis, infection, and propagation.
Thus, blocking the pleiotropic functions of these proteins especially the PreS1 and PreS2 domains of the large surface protein (LHBs) is a promising strategy for designing efficient antivirals against HBV infection.
Unfortunately, the structure of the LHBs protein has not been elucidated yet, and it seems that any structure-based drug discovery is critically dependent on this.
To find effective inhibitors of LHBs, we have modeled and validated its three-dimensional structure and subsequently performed a virtual high-throughput screening against the ZINC database using RASPD and ParDOCK tools.
We have identified four compounds, ZINC11882026, ZINC19741044, ZINC00653293, and ZINC15000762, showing appreciable binding affinity with the LHBs protein.
The drug likeness was further validated using ADME screening and toxicity analysis.
Interestingly, three of the four compounds showed the formation of hydrogen bonds with amino acid residues lying in the capsid binding region of the PreS1 domain of LHBs, suggesting the possibility of inhibiting the viral assembly and maturation process.
The identification of potential lead molecules will help to discover more potent inhibitors with significant antiviral activities.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Mehmankhah, Mahboubeh& Bhat, Ruchika& Anvar, Mohammad Sabery& Ali, Shahnawaz& Alam, Aftab& Farooqui, Anam…[et al.]. 2019. Structure-Guided Approach to Identify Potential Inhibitors of Large Envelope Protein to Prevent Hepatitis B Virus Infection. Oxidative Medicine and Cellular Longevity،Vol. 2019, no. 2019, pp.1-14.
https://search.emarefa.net/detail/BIM-1202102
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Mehmankhah, Mahboubeh…[et al.]. Structure-Guided Approach to Identify Potential Inhibitors of Large Envelope Protein to Prevent Hepatitis B Virus Infection. Oxidative Medicine and Cellular Longevity No. 2019 (2019), pp.1-14.
https://search.emarefa.net/detail/BIM-1202102
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Mehmankhah, Mahboubeh& Bhat, Ruchika& Anvar, Mohammad Sabery& Ali, Shahnawaz& Alam, Aftab& Farooqui, Anam…[et al.]. Structure-Guided Approach to Identify Potential Inhibitors of Large Envelope Protein to Prevent Hepatitis B Virus Infection. Oxidative Medicine and Cellular Longevity. 2019. Vol. 2019, no. 2019, pp.1-14.
https://search.emarefa.net/detail/BIM-1202102
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1202102
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
أضخم قاعدة بيانات عربية للاستشهادات المرجعية للمجلات العلمية المحكمة الصادرة في العالم العربي
تقوم هذه الخدمة بالتحقق من التشابه أو الانتحال في الأبحاث والمقالات العلمية والأطروحات الجامعية والكتب والأبحاث باللغة العربية، وتحديد درجة التشابه أو أصالة الأعمال البحثية وحماية ملكيتها الفكرية. تعرف اكثر