Computational approaches to define poncirin from Magnolia champaka leaves as a novel multi-target inhibitor of SARS-CoV-2

SM Patil, B Phanindra, PS Shirahatti… - Journal of …, 2023 - Taylor & Francis
Phytochemical-based drug discovery against the severe acute respiratory syndrome
coronavirus-2 (SARS-CoV-2) has been the focus of the current scenario. In this context, we …

In silico approach for designing novel SARS-CoV-2 inhibitors from medicinal plants

RT Fouedjou, O Daoui, H Nour, M Ayoub… - Physical Chemistry …, 2023 - physchemres.org
Medicinal plants belonging to Cameroon flora, could be a source for the discovery of
potential inhibitors of SARS-CoV-2. These two proteins play a pivotal role in mediating viral …

Natural phyto, compounds as possible noncovalent inhibitors against SARS-CoV2 protease: computational approach

JO Ogidigo, EA Iwuchukwu, CU Ibeji… - Journal of …, 2022 - Taylor & Francis
At present, there is no cure or vaccine for the devastating new highly infectious severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2) that has affected people globally. Herein …

Targeting the main protease and the spike protein of SARS-COV-2 with naturally occurring compounds from some cameroonian medicinal plants: an in-silico study for …

RT Fouedjou, HPD Fogang, M Ouassaf… - Journal of the Chilean …, 2022 - SciELO Chile
Despite the social distancing and hygiene rules prescribed by the WHO, the novel Corona-
virus is still on the way of a significant rapid rise in deaths. Therefore, identification of …

GC-MS profiling of Bauhinia variegata major phytoconstituents with computational identification of potential lead inhibitors of SARS-CoV-2 Mpro

P More-Adate, KB Lokhande, KV Swamy… - Computers in Biology …, 2022 - Elsevier
Severe acute respiratory syndrome coronavirus 2 was originally identified in Wuhan city of
China in December 2019 and it spread rapidly throughout the globe, causing a threat to …

Phytochemicals from Leucas zeylanica Targeting Main Protease of SARS-CoV-2: Chemical Profiles, Molecular Docking, and Molecular Dynamics Simulations

M Dutta, AM Tareq, A Rakib, S Mahmud, SA Sami… - Biology, 2021 - mdpi.com
Simple Summary Molecular docking in conjunction with molecular dynamics simulation was
accomplished as they extend an ample opportunity to screen plausible inhibitors of the main …

Pimenta dioica (L.) Merr. Bioactive Constituents Exert Anti-SARS-CoV-2 and Anti-Inflammatory Activities: Molecular Docking and Dynamics, In Vitro, and In Vivo …

HA El Gizawy, SA Boshra, A Mostafa, SH Mahmoud… - Molecules, 2021 - mdpi.com
In response to the urgent need to control Coronavirus disease 19 (COVID-19), this study
aims to explore potential anti-SARS-CoV-2 agents from natural sources. Moreover, cytokine …

Computational Investigations for Identification of Bioactive Molecules from Baccaurea ramiflora and Bergenia ciliata as Inhibitors of SARS-CoV-2 Mpro

JH Zothantluanga, M Abdalla, M Rudrapal… - Polycyclic Aromatic …, 2023 - Taylor & Francis
In this study, a hybrid compound library of 72 phytocompounds from two antiviral medicinal
plants (Baccaurea ramiflora and Bergenia ciliata) was computationally investigated for their …

Structure-based computational screening of 470 natural quercetin derivatives for identification of SARS-CoV-2 Mpro inhibitor

AK Umar, JH Zothantluanga, JA Luckanagul… - PeerJ, 2023 - peerj.com
Abstract Coronavirus disease 2019 (COVID-19) is a global pandemic infecting the
respiratory system through a notorious virus known as the severe acute respiratory …

Bioprospecting phytochemicals of Rosmarinus officinalis L. for targeting SARS-CoV-2 main protease (Mpro): a computational study

U Patel, K Desai, RC Dabhi, JJ Maru… - Journal of Molecular …, 2023 - Springer
Context The persistent spread of highly contagious COVID-19 disease is one of the
deadliest occurrences in the history of mankind. Despite the distribution of numerous …