Evaluation of quinoxaline derivatives as potential ergosterol biosynthesis inhibitors: design, synthesis, ADMET, molecular docking studies, and antifungal activities
EA Fayed, MA Ebrahim, U Fathy, HS El Saeed… - Journal of Molecular …, 2022 - Elsevier
Because of the increased infection incidence and the advent of medication resistance, fungi
have become a severe medical problem. Ergosterol is a structural component of the fungal …
have become a severe medical problem. Ergosterol is a structural component of the fungal …
[PDF][PDF] Uridine derivatives: Antifungal, PASS outcomes, ADME/T, drug-likeliness, molecular docking and binding energy calculations
T Shamsuddin, MA Hosen, MS Alam… - Med. Sci. Int …, 2021 - researchgate.net
Several nucleoside derivatives are used as antifungal, antiviral, antibacterial, and anticancer
agents and have shown effective results against fungal, bacteria, viruses, and cancer. In this …
agents and have shown effective results against fungal, bacteria, viruses, and cancer. In this …
In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET …
Fluconazole and Voriconazole are individual antifungal inhibitors broadly adopted for
treating fungal infections, including Candida Albicans. Unfortunately, these medicines …
treating fungal infections, including Candida Albicans. Unfortunately, these medicines …
[HTML][HTML] Synthesis and in-silico simulation of some new bis-thiazole derivatives and their preliminary antimicrobial profile: investigation of hydrazonoyl chloride …
Two new series of bis-thiazoles 6a-f and bis-thiazolones 9a-d were prepared via reacting bis-
thiosemicarbazone 3 with hydrazonoyl chloride derivatives 4a-f and 7a-d, respectively, in …
thiosemicarbazone 3 with hydrazonoyl chloride derivatives 4a-f and 7a-d, respectively, in …
Synthesis, docking, computational studies, and antimicrobial evaluations of new dipeptide derivatives based on nicotinoylglycylglycine hydrazide
HS Khalaf, AM Naglah, MA Al-Omar, GO Moustafa… - Molecules, 2020 - mdpi.com
Within a series of dipeptide derivatives (5–11), compound 4 was refluxed with d-glucose, d-
xylose, acetylacetone, diethylmalonate, carbon disulfide, ethyl cyanoacetate, and ethyl …
xylose, acetylacetone, diethylmalonate, carbon disulfide, ethyl cyanoacetate, and ethyl …
Synthesis, structural, biocomputational modeling and antifungal activity of novel armed pyrazoles
Nowadays, facile and short synthesis of new antifungal pyrazole-derivatives ligands has
attracted increasing attention due to their simplicity and effectiveness. In here, we have …
attracted increasing attention due to their simplicity and effectiveness. In here, we have …
In vitro and in vivo evaluation of the antimicrobial, antioxidant, cytotoxic, hemolytic activities and in silico POM/DFT/DNA-binding and pharmacokinetic analyses of …
SA Hassan, DM Aziz, MN Abdullah… - Journal of …, 2024 - Taylor & Francis
In this work, Schiff bases and Thiazolidin-4-ones, were synthesized using Sonication and
Microwave techniques, respectively. The Schiff base derivatives (3a–b) were synthesized …
Microwave techniques, respectively. The Schiff base derivatives (3a–b) were synthesized …
Molecular docking studies of phytocompounds of Rheum emodi Wall with proteins responsible for antibiotic resistance in bacterial and fungal pathogens: in silico …
R Rolta, D Salaria, V Kumar, CN Patel… - Journal of …, 2022 - Taylor & Francis
Abstract Rheum emodi Wall.(Himalayan rhubarb) has many pharmacological activities such
as antioxidant, antimicrobial, antiviral, anticancer and wound healing. The present study was …
as antioxidant, antimicrobial, antiviral, anticancer and wound healing. The present study was …
Synthesis and antimicrobial activity of new heteroaryl (aryl) thiazole derivatives molecular docking studies
V Kartsev, A Geronikaki, A Zubenko, A Petrou… - Antibiotics, 2022 - mdpi.com
Herein, we report the design, synthesis, and evaluation of the antimicrobial activity of new
heteroaryl (aryl) thiazole derivatives. The design was based on a molecular hybridization …
heteroaryl (aryl) thiazole derivatives. The design was based on a molecular hybridization …
Preparation, antibacterial evaluation and preliminary structure–activity relationship (SAR) study of benzothiazol-and benzoxazol-2-amine derivatives
In this study, a novel benzothiazol-and benzooxazol-2-amine scaffold with antibacterial
activity was designed and synthesized. Preliminary structure–activity relationship analysis …
activity was designed and synthesized. Preliminary structure–activity relationship analysis …