Identification of musk compounds as inhibitors of the main SARS-CoV-2 protease by molecular docking and molecular dynamics studies

被引：0

作者：

Belhassan, Assia ^{[1
]}

Salgado, Guillermo ^{[2
]}

Mendoza-Huizar, Luis Humberto ^{[3
]}

Zaki, Hanane ^{[4
]}

Chtita, Samir ^{[5
]}

Lakhlifi, Tahar ^{[1
]}

Bouachrine, Mohammed ^{[1
,4
]}

Gerli Candia, Lorena ^{[6
]}

Cardona, Wilson ^{[7
]}

机构：

[1] Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University of Meknes, Morocco

[2] Facultad de Ciencias Químicas. Investigador Extramural, Universidad de Concepción, Concepción, Chile

[3] Autonomous University of Hidalgo State, Academic Area of Chemistry., Hidalgo, Mineral de la Reforma, Mexico

[4] EST Khenifra, Sultan Moulay Sliman University, Benimellal, Morocco

[5] Laboratory of Analytical and Molecular Chemistry, Department of Chemistry, Faculty of Sciences Ben M’Sik, Hassan II University of Casablanca, Casablanca, Morocco

[6] Departamento de Química Ambiental, Facultad de Ciencias, Universidad Católica de la Santísima Concepción, Concepción, Chile

[7] Facultad de Medicina y Ciencia, Universidad San Sebastián, Puerto Montt, Chile

来源：

Journal of the Serbian Chemical Society | 2024年 / 89卷 / 11期

关键词：

52;

D O I：

10.2298/JSC231125012B

中图分类号：

学科分类号：

摘要：

引用

页码：1447 / 1460

共 50 条

[1] Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations
Masand, Vijay H.
Sk, Md Fulbabu
Kar, Parimal
Rastija, Vesna
Zaki, Magdi E. A.
[J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2021, 217
[2] Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations
Jairajpuri, Deeba Shamim
Hussain, Afzal
Nasreen, Khalida
Mohammad, Taj
Anjum, Farah
Rehman, Md. Tabish
Hasan, Gulam Mustafa
Alajmi, Mohamed F.
Hassan, Md. Imtaiyaz
[J]. SAUDI JOURNAL OF BIOLOGICAL SCIENCES, 2021, 28 (04) : 2423 - 2431
[3] Combined molecular docking and dynamics simulations studies of natural compounds as potent inhibitors against SARS-CoV-2 main protease
Ouassaf, Mebarka
Belaidi, Salah
Chtita, Samir
Lanez, Touhami
Abul Qais, Faizan
Amiruddin, Hashmi Md
[J]. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (21): : 11264 - 11273
[4] Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors
Cardoso, Wesley B.
Mendanha, Sebastiao A.
[J]. JOURNAL OF MOLECULAR STRUCTURE, 2021, 1225
[5] Identification of possible SARS-CoV-2 main protease inhibitors: in silico molecular docking and dynamic simulation studies
Mukherjee, Aniruddhya
Pandey, Khushhali Menaria
Ojha, Krishna Kumar
Sahu, Sumanta Kumar
[J]. BENI-SUEF UNIVERSITY JOURNAL OF BASIC AND APPLIED SCIENCES, 2023, 12 (01)
[6] Identification of possible SARS-CoV-2 main protease inhibitors: in silico molecular docking and dynamic simulation studies
Aniruddhya Mukherjee
Khushhali Menaria Pandey
Krishna Kumar Ojha
Sumanta Kumar Sahu
[J]. Beni-Suef University Journal of Basic and Applied Sciences, 12
[7] Molecular Docking Unveils Prospective Inhibitors for the SARS-COV-2 Main Protease
Ahmad, Fawad
Ikram, Saima
Ahmad, Jamshaid
Rehman, Irshad Ur
Khattak, Saeed Ullah
Butt, Sadia
Mushtaq, Maryam
[J]. SAINS MALAYSIANA, 2021, 50 (05): : 1473 - 1484
[8] Analysis of bioactive compounds of Olea europaea as potential inhibitors of SARS-CoV-2 main protease: a pharmacokinetics, molecular docking and molecular dynamics simulation studies
Almatroudi, Ahmad
[J]. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023,
[9] Identification of potential inhibitors of SARS-CoV-2 main protease from Aloe vera compounds: A molecular docking study
Mpiana, Pius T.
Ngbolua, Koto-te-Nyiwa
Tshibangu, Damien S. T.
Kilembe, Jason T.
Gbolo, Benjamin Z.
Mwanangombo, Domaine T.
Inkoto, Clement L.
Lengbiye, Emmanuel M.
Mbadiko, Clement M.
Matondo, Aristote
Bongo, Gedeon N.
Tshilanda, Dorothee D.
[J]. CHEMICAL PHYSICS LETTERS, 2020, 754
[10] Drug repurposing for SARS-CoV-2 main protease: Molecular docking and molecular dynamics investigations
Omer, Samia E.
Ibrahim, Tawasol M.
Krar, Omer A.
Ali, Amna M.
Makki, Alaa A.
Ibraheem, Walaa
Alzain, Abdulrahim A.
[J]. BIOCHEMISTRY AND BIOPHYSICS REPORTS, 2022, 29

← 1 2 3 4 5 →