Cargando…

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

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 opportunistic infection that affects people who have a weak immune system. In this study, 158 antifungal phytochemicals were scre...

Descripción completa

Detalles Bibliográficos
Autores principales:	Hamaamin Hussen, Narmin, Hameed Hasan, Aso, Jamalis, Joazaizulfazli, Shakya, Sonam, Chander, Subhash, Kharkwal, Harsha, Murugesan, Sankaranaryanan, Ajit Bastikar, Virupaksha, Pyarelal Gupta, Pramodkumar
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V. 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9508704/ https://www.ncbi.nlm.nih.gov/pubmed/36193218 http://dx.doi.org/10.1016/j.comtox.2022.100247

Ejemplares similares

One-pot synthesis, molecular docking, ADMET, and DFT studies of novel pyrazolines as promising SARS-CoV-2 main protease inhibitors
por: Salih, Rezan Huseen Hama, et al.
Publicado: (2022)

Quantitative structure–activity relationship-based computational approaches
por: Bastikar, Virupaksha, et al.
Publicado: (2022)

Psoralen Derivatives: Recent Advances of Synthetic Strategy and Pharmacological Properties
por: Jamalis, Joazaizulfazli, et al.
Publicado: (2020)

Recent Progress in Synthesis, POM Analyses and SAR of Coumarin-Hybrids as Potential Anti-HIV Agents—A Mini Review
por: Suleiman, Mustapha, et al.
Publicado: (2023)

Protein-Based Nanohydrogels for Bioactive Delivery
por: Chander, Subhash, et al.
Publicado: (2021)

Discovery of Novel Coumarin-Schiff Base Hybrids as Potential Acetylcholinesterase Inhibitors: Design, Synthesis, Enzyme Inhibition, and Computational Studies
por: Hasan, Aso Hameed, et al.
Publicado: (2023)

Analysis of naphthoquinone derivatives as topoisomerase I inhibitors using fragment based QSAR
por: Virupaksha, Bastikar, et al.
Publicado: (2013)

Druggable targets of SARS-CoV-2 and treatment opportunities for COVID-19
por: Faheem, et al.
Publicado: (2020)

Therapeutic Potential of Phytoconstituents in Management of Alzheimer's Disease
por: Singh, Anurag Kumar, et al.
Publicado: (2021)

(E)-3-(3-Methylthiophen-2-yl)-1-p-tolylprop-2-en-1-one. Corrigendum
por: Naveen, S., et al.
Publicado: (2021)

Recent Advancements on COVID-19: A Comprehensive Review
por: Rahman, Heshu Sulaiman, et al.
Publicado: (2021)

FP-ADMET: a compendium of fingerprint-based ADMET prediction models
por: Venkatraman, Vishwesh
Publicado: (2021)

In silico screening, ADMET analysis and MD simulations of phytochemicals of Onosma bracteata Wall. as SARS CoV-2 inhibitors
por: Vegad, Udaykumar G., et al.
Publicado: (2023)

Phytochemical Analysis, In Vitro Biological Activities, and Computer-Aided Analysis of Potentilla nepalensis Hook Compounds as Potential Melanoma Inhibitors Based on Molecular Docking, MD Simulations, and ADMET
por: Sharma, Subhash, et al.
Publicado: (2023)

Phytoconstituents as photoprotective novel cosmetic formulations
por: Saraf, S., et al.
Publicado: (2010)

Role of phytoconstituents in the management of COVID-19
por: Das, Amiya, et al.
Publicado: (2021)

mPGES-1 Inhibitor Discovery Based on Computer-Aided Screening: Pharmacophore Models, Molecular Docking, ADMET, and MD Simulations
por: Huang, Qiqi, et al.
Publicado: (2023)

ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database
por: Dong, Jie, et al.
Publicado: (2018)

Isolation and characterization of phytoconstituents from Chlorophytum borivilianum
por: Deore, Sharada L., et al.
Publicado: (2010)

Phospholipid Complex Technique for Superior Bioavailability of Phytoconstituents
por: Gnananath, Kattamanchi, et al.
Publicado: (2017)

Novel ADMET design tool for chemists
por: Miller, DW, et al.
Publicado: (2011)

Antimicrobial food packaging: potential and pitfalls
por: Malhotra, Bhanu, et al.
Publicado: (2015)

Herbal Drugs from Sudan: Traditional Uses and Phytoconstituents
por: Karar, Mohamed Gamaleldin Elsadig, et al.
Publicado: (2017)

Role of Phytoconstituents as PPAR Agonists: Implications for Neurodegenerative Disorders
por: , Sanjay, et al.
Publicado: (2021)

Alkaloidal Phytoconstituents for Diabetes Management: Exploring the Unrevealed Potential
por: Behl, Tapan, et al.
Publicado: (2022)

Investigations of Phytoconstituents, Antioxidant and Anti-Liver Cancer Activities of Saueda monoica Forssk Extracted by Microwave-Assisted Extraction
por: Al-Shawi, Ali A. A., et al.
Publicado: (2020)

A Comparative Study of Diospyros malabarica (Gaub) Extracts in Various Polarity-Dependent Solvents for Evaluation of Phytoconstituents and Biological Activities
por: Zreen, Zohra, et al.
Publicado: (2022)

New quinoline and isatin derivatives as apoptotic VEGFR-2 inhibitors: design, synthesis, anti-proliferative activity, docking, ADMET, toxicity, and MD simulation studies
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

Identification of potential human pancreatic α-amylase inhibitors from natural products by molecular docking, MM/GBSA calculations, MD simulations, and ADMET analysis
por: Basnet, Santosh, et al.
Publicado: (2023)

vNN Web Server for ADMET Predictions
por: Schyman, Patric, et al.
Publicado: (2017)

Systematic virtual screening in search of SARS CoV-2 inhibitors against spike glycoprotein: pharmacophore screening, molecular docking, ADMET analysis and MD simulations
por: Dhameliya, Tejas M., et al.
Publicado: (2022)

Repurposing of phytomedicine-derived bioactive compounds with promising anti-SARS-CoV-2 potential: Molecular docking, MD simulation and drug-likeness/ADMET studies
por: Rudrapal, Mithun, et al.
Publicado: (2022)

Novel hybrids of thiazolidinedione-1,3,4-oxadiazole derivatives: synthesis, molecular docking, MD simulations, ADMET study, in vitro, and in vivo anti-diabetic assessment
por: Srinivasa, Mahendra Gowdru, et al.
Publicado: (2023)

New phytoconstituents from the aerial parts of Fumaria parviflora Lam
por: Jameel, Mohammad, et al.
Publicado: (2014)

Data on docking of phytoconstituents of Actinidia deliciosa on dengue viral targets
por: Chandani, Sneha R., et al.
Publicado: (2019)

Phytoconstituents with Radical Scavenging and Cytotoxic Activities from Diospyros shimbaensis
por: Aronsson, Per, et al.
Publicado: (2016)

Phytoconstituents and therapeutic uses of Rheum emodi wall. ex Meissn
por: Zargar, Bilal A., et al.
Publicado: (2011)

Computer Analysis of the Inhibition of ACE2 by Flavonoids and Identification of Their Potential Antiviral Pharmacophore Site
por: Bogoyavlenskiy, Andrey, et al.
Publicado: (2023)

An in silico evaluation of the ADMET profile of the StreptomeDB database
por: Ntie-Kang, Fidele
Publicado: (2013)

Solubility and ADMET profiles of short oligomers of lactic acid
por: Dascălu, Daniela, et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_b66ifml9divsuk5k4h864jhtj3