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

共 50 条

[21] Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: anin silicostudy for drug development
Pandey, Preeti
Rane, Jitendra Subhash
Chatterjee, Aroni
Kumar, Abhijeet
Khan, Rajni
Prakash, Amresh
Ray, Shashikant
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2021, 39 (16) : 6306 - 6316
[22] Truncated human angiotensin converting enzyme 2; a potential inhibitor of SARS-CoV-2 spike glycoprotein and potent COVID-19 therapeutic agent
Basit, Abdul
Ali, Tanveer
Rehman, Shafiq Ur
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2021, 39 (10) : 3605 - 3614
[23] In silico screening of natural compounds to inhibit interaction of human ACE2 receptor and spike protein of SARS-CoV-2 for the prevention of COVID-19
Sharma, Priyanka
Joshi, Tanuja
Joshi, Tushar
Mathpal, Shalini
Maiti, Priyanka
Nand, Mahesh
Chandra, Subhash
Tamta, Sushma
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023, 41 (02) : 646 - 658
[24] Mechanism of N-0385 blocking SARS-CoV-2 to treat COVID-19 based on molecular docking and molecular dynamics
Cao, Jun-Feng
Yang, Xingyu
Xiong, Li
Wu, Mei
Chen, Shengyan
Xiong, Chenyang
He, Peiyong
Zong, Yonghua
Zhang, Lixin
Fu, Hongjiao
Qi, Yue
Ying, Xiran
Liu, Dengxin
Hu, Xiaosong
Zhang, Xiao
FRONTIERS IN MICROBIOLOGY, 2022, 13
[25] Identification of SARS-CoV-2 Spike Protein Inhibitors from Urtica dioicato Develop Herbal-Based Therapeutics Against COVID-19
Upreti, Shobha
Prusty, Jyoti Sankar
Kumar, Awanish
Samant, Mukesh
WORLD JOURNAL OF TRADITIONAL CHINESE MEDICINE, 2023, 9 (01) : 61 - 70
[26] More than a key-the pathological roles of SARS-CoV-2 spike protein in COVID-19 related cardiac injury
Lin, Zhiqiang
SPORTS MEDICINE AND HEALTH SCIENCE, 2024, 6 (03) : 209 - 220
[27] Linear epitope landscape of the SARS-CoV-2 Spike protein constructed from 1,051 COVID-19 patients
Li, Yang
Ma, Ming-liang
Lei, Qing
Wang, Feng
Hong, Wei
Lai, Dan-yun
Hou, Hongyan
Xu, Zhao-wei
Zhang, Bo
Chen, Hong
Yu, Caizheng
Xue, Jun-biao
Zheng, Yun-xiao
Wang, Xue-ning
Jiang, He-wei
Zhang, Hai-nan
Qi, Huan
Guo, Shu-juan
Zhang, Yandi
Lin, Xiaosong
Yao, Zongjie
Wu, Jiaoxiang
Sheng, Huiming
Zhang, Yanan
Wei, Hongping
Sun, Ziyong
Fan, Xionglin
Tao, Sheng-ce
CELL REPORTS, 2021, 34 (13):
[28] Variations in SARS-CoV-2 Spike Protein Cell Epitopes and Glycosylation Profiles During Global Transmission Course of COVID-19
Xu, Wenxin
Wang, Mingjie
Yu, Demin
Zhang, Xinxin
FRONTIERS IN IMMUNOLOGY, 2020, 11
[29] Antibody isotype epitope mapping of SARS-CoV-2 Spike RBD protein: Targets for COVID-19 symptomatology and disease control
Contreras, Marinela
Vicente, Joaquin
Ceron, Jose Joaquin
Subiela, Silvia Martinez
Urra, Jose Miguel
Rodriguez-del-Rio, Francisco J.
Ferreras-Colino, Elisa
Vaz-Rodrigues, Rita
de Mera, Isabel G. de Fernandez G.
Antunes, Sandra
Domingos, Ana
Gortazar, Christian
de la Fuente, Jose
EUROPEAN JOURNAL OF IMMUNOLOGY, 2023, 53 (04)
[30] COVID-19 diagnosis by SARS-CoV-2 Spike protein detection in saliva using an ultrasensitive magneto-assay based on disposable electrochemical sensor
Nascimento, Evair D.
Fonseca, Wilson T.
de Oliveira, Tassia R.
de Correia, Camila R. S. T. B.
Faca, Vitor M.
de Morais, Beatriz P.
Silvestrini, Virginia C.
Pott-Junior, Henrique
Teixeira, Felipe R.
Faria, Ronaldo C.
SENSORS AND ACTUATORS B-CHEMICAL, 2022, 353

← 1 2 3 4 5 →