[HTML][HTML] A Comprehensive in vitro and in silico Analysis of Nematicidal Action of Essential Oils

A Kundu, A Dutta, A Mandal, L Negi, M Malik… - Frontiers in Plant …, 2021 - frontiersin.org
… The in silico molecular interactions screening of major EO … vitro and computational bioefficacy
analysis related to the chemoprofiles … of biomolecules and essential oils for development of …

[HTML][HTML] Chemical Composition, Biological Activities and In Silico Analysis of Essential Oils of Three Endemic Prangos Species from Turkey

G Zengin, MF Mahomoodally, E Yıldıztugay, S Jugreet… - Molecules, 2022 - mdpi.com
… In this study, the essential oils (EOs) obtained from three endemic Prangos species from …
biological activities of the tested essential oils, we performed a PLS analysis. The results are …

[HTML][HTML] In silico analyses of toxicity of the major constituents of essential oils from two Ipomoea L. species

OS da Silva Júnior, CJP Franco, AAB de Moraes… - Toxicon, 2021 - Elsevier
… In the present study, the essential oils (EOs) of the leaves … In silico analyses were also applied
to evaluate the … Our computational analyses indicated that the constituents caryophyllene …

[HTML][HTML] Antimicrobial Potential of Essential Oils from Aromatic Plant Ocimum sp.; A Comparative Biochemical Profiling and In-Silico Analysis

P Salvi, G Kumar, N Gandass, Kajal, A Verma… - Agronomy, 2022 - mdpi.com
… Our in-silico analysis revealed that the three phytoconstituents viz. β-cubebene (−6.5 kcal …
The Ocimum EO has two compounds that exhibit higher in-silico binding affinity towards DHFR …

[HTML][HTML] An evaluation of the potential of essential oils against SARS-CoV-2 from in silico studies through the systematic review using a chemometric approach

L Torres Neto, MLG Monteiro, D Galvan… - Pharmaceuticals, 2021 - mdpi.com
… After that, the BE and DS values were submitted to a hierarchical cluster analysis (HCA)
together with a heat map graph (Section 2.6). This analysis aimed to aggregate the compounds …

Characterization, antifungal properties and in silico modelling perspectives of Trachyspermum ammi essential oil

S Dutta, A Kundu, S Saha, P Prabhakaran, A Mandal - Lwt, 2020 - Elsevier
Essential oils are responsible for wide range of biological activities, the reason why, the present
research is focused on the profiling of essential oil … Spectrometry analysis of essential oil

[HTML][HTML] Essential oils as antiviral agents, potential of essential oils to treat SARS-CoV-2 infection: an in-silico investigation

JKR Da Silva, PLB Figueiredo, KG Byler… - International journal of …, 2020 - mdpi.com
Essential oils have shown promise as antiviral agents against several pathogenic viruses. In
this work we hypothesized that essential oilanalysis was carried out using 171 essential oil

[HTML][HTML] … Study on the Essential Oils from Five Wild Egyptian Centaurea Species: Effective Extraction Techniques, Antimicrobial Activity and In-Silico Analyses

EH Reda, ZTA Shakour, AM El-Halawany… - Antibiotics, 2021 - mdpi.com
… compared for the extraction of essential oils. GC/MS analysis identified 120 EOs including
… Interestingly, it is the first report on the analysis of essential oils of C. lippi, C. glomerata and …

In vitro and in silico analysis of Thymus serpyllum essential oil as bioactivity enhancer of antibacterial and antifungal agents

D Salaria, R Rolta, CN Patel, K Dev… - Journal of …, 2022 - Taylor & Francis
… serpyllum essential oil as an antimicrobial agent, in vitro experiments were confirmed by an
in-silico approach to assess mechanisms of synergistic potential of T. serpyllum essential oil (…

[HTML][HTML] Assessment of the Antioxidant and Antimicrobial Potential of Ptychotis verticillata Duby Essential Oil from Eastern Morocco: An In Vitro and In Silico Analysis

M Taibi, A Elbouzidi, D Ou-Yahia, M Dalli, R Bellaouchi… - Antibiotics, 2023 - mdpi.com
… the phytochemical makeup of the essential oil extracted from P. … The extraction of the essential
oil of P. verticillata (PVEO) … the essential oil was then determined through analysis utilizing …