Conformational perturbation of SARS-CoV-2 spike protein using N-acetyl cysteine: an exploration of probable mechanism of action to combat COVID-19

被引：1

作者：

Debnath, Utsab ^{[1
]}

Mitra, Amrita ^{[2
]}

Dewaker, Varun ^{[3
]}

Prabhakar, Yenamandra S. ^{[3
]}

Tadala, Raghu ^{[4
]}

Krishnan, Kiran ^{[4
]}

Wagh, Padmakar ^{[4
]}

Velusamy, Umashankar ^{[4
]}

Baliyan, Aastha ^{[5
]}

Kurpad, Anura V. ^{[6
]}

Bhattacharyya, Parthasarathi ^{[7
]}

Mandal, Amit Kumar ^{[5
]}

机构：

[1] Univ Petr & Energy Studies, Sch Hlth Sci & Technol, Dehra Dun, India

[2] St Johns Res Inst, Div Mol Med, Clin Prote Unit, Bangalore, India

[3] CSIR, Cent Drug Res Inst, Med & Proc Chem Div, Lucknow, India

[4] Waters India Pvt Ltd 36A, Bengaluru, India

[5] Indian Inst Sci Educ & Res Kolkata, Dept Biol Sci, Nadia 741246, W Bengal, India

[6] St Johns Med Coll, Dept Physiol, Bangalore, India

[7] Inst Pulmocare & Res, Clin Div, Kolkata, India

来源：

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS | 2024年 / 42卷 / 10期

关键词：

SARS-CoV-2; spike protein; disulfide bonds; N-acetyl cysteine (NAC); angiotensin-converting enzyme 2 (ACE2); mass spectrometry; proteomics; molecular docking; MD simulation; MOLECULAR-DYNAMICS; WEB SERVER; ANALOGS;

D O I：

10.1080/07391102.2023.2234031

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Spike protein is used to target human ACE2 receptor for viral fusion into the human cell. N-acetyl cysteine can interestingly inhibit this viral fusion process by increasing the probability of structural deformation of this viral spike protein. This process may indirectly reduce the intermolecular binding affinity between two enzymes

引用

页码：5042 / 5052

页数：11

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