Structure-based design of promising natural products to inhibit thymidylate kinase from Monkeypox virus and validation using free energy calculations
Monkeypox (MPXV) is a globally growing public health concern with 80,328 active cases
and 53 deaths have been reported. No specific vaccine or drug is available for the treatment …
and 53 deaths have been reported. No specific vaccine or drug is available for the treatment …
In silico discovery of potent inhibitors against monkeypox's major structural proteins
KB Lokhande, A Shrivastava… - Journal of Biomolecular …, 2023 - Taylor & Francis
Monkeypox virus (MPXV) outbreak in non-endemic countries is a worldwide public health
emergency. An enveloped double-stranded DNA virus belongs to the genus Orth poxvirus. A …
emergency. An enveloped double-stranded DNA virus belongs to the genus Orth poxvirus. A …
Identification of novel potential inhibitors of monkeypox virus thymidine kinase using molecular docking, molecular dynamics simulation and MM/PBSA methods
T Abdizadeh - Molecular Diversity, 2023 - Springer
The monkeypox spread has been announced a public health emergency of international
concern (PHEIC) by the World Health Organization (WHO). Both monkeypox and smallpox …
concern (PHEIC) by the World Health Organization (WHO). Both monkeypox and smallpox …
Novel phytochemical inhibitors targeting monkeypox virus thymidine and serine/threonine kinase: integrating computational modeling and molecular dynamics …
Due to the rapid spread of the monkeypox virus and rise in the number of cases, there is an
urgent need for the development of effective drugs against the infection. Serine/threonine …
urgent need for the development of effective drugs against the infection. Serine/threonine …
Potential inhibitors of monkeypox virus revealed by molecular modeling approach to viral DNA topoisomerase I
The monkeypox outbreak has become a global public health emergency. The lack of valid
and safe medicine is a crucial obstacle hindering the extermination of orthopoxvirus …
and safe medicine is a crucial obstacle hindering the extermination of orthopoxvirus …
Fludarabine, a potential DNA-dependent RNA polymerase inhibitor, as a prospective drug against monkeypox virus: A computational approach
HN Altayb - Pharmaceuticals, 2022 - mdpi.com
Monkeypox is a zoonotic contagious disease that has recently re-emerged in different
countries worldwide. Due to the lack of an effective treatment that eliminates the virus, there …
countries worldwide. Due to the lack of an effective treatment that eliminates the virus, there …
Computer-assisted drug repurposing for thymidylate kinase drug target in monkeypox virus
Introduction Monkeypox is a zoonotic disease caused by brick-shaped enveloped
monkeypox (Mpox) virus that belongs to the family of ancient viruses known as Poxviridae …
monkeypox (Mpox) virus that belongs to the family of ancient viruses known as Poxviridae …
In Silico Studies of Potential Selective Inhibitors of Thymidylate Kinase from Variola virus
DR Garcia, FR Souza, AP Guimarães, M Valis… - Pharmaceuticals, 2021 - mdpi.com
Continuing the work developed by our research group, in the present manuscript, we
performed a theoretical study of 10 new structures derived from the antivirals cidofovir and …
performed a theoretical study of 10 new structures derived from the antivirals cidofovir and …
Preventing the return of smallpox: molecular modeling studies on thymidylate kinase from Variola virus
AP Guimarães, TC Ramalho… - Journal of Biomolecular …, 2014 - Taylor & Francis
Smallpox was one of the most devastating diseases in the human history and still represents
a serious menace today due to its potential use by bioterrorists. Considering this threat and …
a serious menace today due to its potential use by bioterrorists. Considering this threat and …
Chain-engineering-based de novo drug design against MPXVgp169 virulent protein of monkeypox virus: A molecular modification approach
The unexpected appearance of the monkeypox virus and the extensive geographic
dispersal of cases have prompted researchers to concentrate on potential therapeutic …
dispersal of cases have prompted researchers to concentrate on potential therapeutic …