Rhamnopyranoside Pivaloyl Esters as Black and White Fungus Inhibitors: Molecular Docking, Dynamics and ADMET Analysis

MM Matin, A Kumer, A Chandro, S Akash… - Orbital: The Electronic …, 2024 - periodicos.ufms.br
Abstract The" Black and White Fungus" is a very infrequently developing pathogen with a
high fatality rate that has prompted widespread public health concern during the period of …

Modified D-glucofuranoses as new black fungus protease inhibitors: Computational screening, docking, dynamics, and QSAR study

MA Rahman, MM Matin, A Kumer… - Physical Chemistry …, 2022 - physchemres.org
Notable antimicrobial functionality were found with different sugar esters which were also
reported to inhibit the multidrug resistant pathogens along with promising antimicrobial …

[PDF][PDF] The computational screening of inhibitor for black fungus and white fungus by D-glucofuranose derivatives using in silico and SAR study.

A Kumer, U Chakma, MM Matin, S Akash… - Organic …, 2021 - acgpubs.org
Black fungus is the foremost life-threatening disease during the SARS-CoV-2 affected
patients and spreading quickly in the region of the subcontinent of India although there was …

Potential inhibitory activity of phytoconstituents against black fungus: In silico ADMET, molecular docking and MD simulation studies

NH Hussen, AH Hasan, J Jamalis, S Shakya… - Computational …, 2022 - Elsevier
Mucormycosis or “black fungus” has been currently observed in India, as a secondary
infection in COVID-19 infected patients in the post-COVID-stage. Fungus is an uncommon …

[HTML][HTML] Garlic as an effective antifungal inhibitor: A combination of reverse docking, molecular dynamics simulation, ADMET screening, DFT, and retrosynthesis …

S Bouamrane, A Khaldan, M Alaqarbeh, A Sbai… - Arabian Journal of …, 2024 - Elsevier
Fungal infections profoundly affect human health, causing a substantial number of infections
and millions of fatalities annually on a global scale. The identification of new drugs targeting …

Natural Isatin Derivatives Against Black Fungus: In Silico Studies

MS Hossain, MA Rahman, PR Dey, MP Khandocar… - Current …, 2024 - Springer
During this coronavirus pandemic, when a lot of people are already severely afflicted with
SARS-CoV-19, the dispersion of black fungus is making it worse, especially in the Indian …

Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment

S Ahmad, HW Abbasi, S Shahid, S Gul… - Journal of …, 2021 - Taylor & Francis
Nigella sativa or black seed is used as a medicinal plant around the globe. Oil and seeds
have a long tradition of folklore use in various medicinal and food systems. The conventional …

[HTML][HTML] Molecular docking of a bioactive compound of C. sinensis n-heptadecanol-1 with opportunistic fungi

S Pradhan, RC Dubey - Current Research in Green and Sustainable …, 2021 - Elsevier
With the expansion of immune-impaired people during second wave of Covid-19 the case of
mucormycosis and aspergillosis caused by different fungi such as Rhizopus oryzae …

[PDF][PDF] Glucopyranoside Derivatives as Potential Antimicrobial Agents: Synthesis, Anticancer, DFT, Molecular Docking, Molecular Dynamics and ADMET Predictions

S Islam, S Akash, J Ferdous, A Kumer, M Al-Ghorbani… - researchgate.net
Methyl α-D-glucopyranoside and its seven acylated derivatives have been used to develop
antibacterial and antifungal drugs by using in silico and in vitro antimicrobial functionality …

Molecular Docking studies on the Anti-fungal activity of Allium sativum (Garlic) against Mucormycosis (black fungus) by BIOVIA discovery studio visualizer 21.1.0.0

S Sharma, A Sharma, U Gupta - Annals of Antivirals and …, 2021 - healthdisgroup.us
Background: The COVID-19 pandemic is a major concern. However, its association and
rising cases of mucormycosis, also known as black fungus make the scenario even more …