Anti-HIV reverse transcriptase plant polyphenolic natural products with in silico inhibitory properties on seven non-structural proteins vital in SARS-CoV-2 pathogenesis.
Von Novi de Leon,Joe Anthony H. Manzano,Delfin Yñigo H. Pilapil,Rey Arturo T. Fernandez,James Kyle Anthony R. Ching,Mark Tristan J. Quimque,Mark Tristan J. Quimque,Jay Carl M. Agbay,Kin Israel Notarte,Allan Patrick G. Macabeo +9 more
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TLDR
In this article, the potential of anti-HIV reverse transcriptase (RT) phytochemicals as inhibitors of SARS-CoV-2 non-structural proteins (nsps) was explored.About:
This article is published in Journal of Genetic Engineering and Biotechnology.The article was published on 2021-07-16 and is currently open access. It has received 17 citations till now.read more
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Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2
TL;DR: There is a tsunami of literature on the molecular modeling, simulations, and predictions of SARS-CoV-2 and related developments of drugs, vaccines, antibodies, and diagnostics as discussed by the authors .
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The naturally‐derived alkaloids as a potential treatment for <scp>COVID</scp> ‐19: A scoping review
TL;DR: In this article , a systematic search was performed on PubMed and Scopus, from database inception to August 2021, from 63 eligible studies, 65.07% were in silico model, 20.63% in vitro and 14.28% clinical trials and observational studies.
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Virtual Combinatorial Library Screening of Quinadoline B Derivatives against SARS-CoV-2 RNA-Dependent RNA Polymerase
Simone Brogi,Mark Tristan J. Quimque,Kin Israel Notarte,Jeremiah Gabriel Africa,Jenina Beatriz Hernandez,Sophia Morgan Tan,Vincenzo Calderone,Allan Patrick G. Macabeo +7 more
TL;DR: A computer-based protocol for identifying potential compounds targeting RNA-dependent RNA polymerase (RdRp), providing a useful computational procedure for hit-to-lead optimization, having implications in anti-SARS-CoV-2 drug discovery and in general in the drug optimization process.
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Myxobacterial depsipeptide chondramides interrupt SARS-CoV-2 entry by targeting its broad, cell tropic spike protein.
Rey Arturo T. Fernandez,Mark Tristan J. Quimque,Mark Tristan J. Quimque,Kin Israel Notarte,Joe Anthony H. Manzano,Delfin Yñigo H. Pilapil,Von Novi de Leon,John Jeric San Jose,Omar Villalobos,Nisha Harur Muralidharan,M. Michael Gromiha,Simone Brogi,Allan Patrick G. Macabeo +12 more
TL;DR: Sarma et al. as mentioned in this paper explored via in silico approaches myxobacterial secondary metabolites against various receptor-binding regions of SARS-CoV-2 spike which are responsible in recognition and attachment to host cell receptors mechanisms.
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Attenuation of Lipopolysaccharide-Induced Inflammatory Responses through Inhibition of the NF-κB Pathway and the Increased NRF2 Level by a Flavonol-Enriched n-Butanol Fraction from Uvaria alba
Kin Israel Notarte,Mark Tristan J. Quimque,Imee Macaranas,Abbas Khan,Adriel M. Pastrana,Oliver B. Villaflores,Hans Christian P. Arturo,D. Pilapil IV,Sophia Morgan M. Tan,Dong-Qing Wei,Arlette Wenzel-Storjohann,Deniz Tasdemir,Chia-Hung Yen,Seon Yeong Ji,Gi-Young Kim,Yung Hyun Choi,Allan Patrick G. Macabeo +16 more
TL;DR: In this paper , a noncytotoxic, highly selective COX-2 inhibitory flavonol-enriched butanol fraction (UaB) from Uvaria alba (U. alba) was investigated for its inflammatory modulating potential by targeting NF-κB activation and NRF2 activity.
References
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Eric F. Pettersen,Thomas D. Goddard,Conrad C. Huang,Gregory S. Couch,Daniel M. Greenblatt,Elaine C. Meng,Thomas E. Ferrin +6 more
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Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods.
Canrong Wu,Yang Liu,Yueying Yang,Peng Zhang,Wu Zhong,Yali Wang,Qiqi Wang,Yang Xu,Mingxue Li,Xing-Zhou Li,Mengzhu Zheng,Lixia Chen,Hua Li,Hua Li +13 more
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