The Interaction Pattern between a Homology Model of 40S Ribosomal S9 Protein ofRhizoctonia solaniand 1-Hydroxyphenaize by Docking Study

Abstract

1-Hydroxyphenazine (1-OH-PHZ), a natural product from Pseudomonas aeruginosa strain SD12, was earlier reported to have potent antifungal activity against Rhizoctonia solani. In the present work, the antifungal activity of 1-OH-PHZ on 40S ribosomal S9 protein was validated by molecular docking approach. 1-OH-PHZ showed interaction with two polar contacts with residues, Arg69 and Phe19, which inhibits the synthesis of fungal protein. Our study reveals that 1-OH-PHZ can be a potent inhibitor of 40S ribosomal S9 protein of R. solani that may be a promising approach for the management of fungal diseases.

Purification, Characterization, and in Vitro Activity of 2,4-Di-tert-butylphenol from Pseudomonas monteilii PsF84: Conformational and Molecular Docking Studies

“…Some strains of F. oxysporum are pathogenic to plants and are difficult to control; however, biological methods may be a reliable alternative to chemical methods for controlling soilborne fungal growth. Studies using in silico approaches such as targeted protein have begun to shed light on the mechanisms underlying some of these processes and their role in spore germination inhibition …”

Antifungal Activity and Action Mechanisms of 2,4-Di-tert-butylphenol against Ustilaginoidea virens

“…36 In the present study, the mycelial morphology and spore germination of U. virens were destroyed under 2,4-DTBP treatment, which was consistent with the previous research on F. oxysporum. 13 On the basis of the molecular docking analysis, it was assumed that 2,4-DTBP could bind with β-tubulin, suppressing microtubule proliferation and dynamic instability, inhibiting the assembly of spindle microtubules, and disturbing the chromosomal alignment at the metaphase plate and microtubule−kinetochore interactions, which might reduce the mycelia growth and germination of spores and lead to the abnormal branching and swelling of hyphae. 8,13 In human gastric adenocarcinoma AGS cells, 2,4-DTBP could induce mitotic catastrophe, possibly mediated by an increase in the acetylation of α-tubulin, resulting in apoptosis.…”

“…13 On the basis of the molecular docking analysis, it was assumed that 2,4-DTBP could bind with β-tubulin, suppressing microtubule proliferation and dynamic instability, inhibiting the assembly of spindle microtubules, and disturbing the chromosomal alignment at the metaphase plate and microtubule−kinetochore interactions, which might reduce the mycelia growth and germination of spores and lead to the abnormal branching and swelling of hyphae. 8,13 In human gastric adenocarcinoma AGS cells, 2,4-DTBP could induce mitotic catastrophe, possibly mediated by an increase in the acetylation of α-tubulin, resulting in apoptosis. 9 In the present study, tubulin α and β chain encoding genes (UV8b_05330 and UV8b_05680) and the WD repeatcontaining protein gene slp1 (UV8b_02689) were significantly upregulated (Table 2).…”

“…10 2,4-DTBP also exhibits inhibitory activity against bacterial pathogens, including Pseudomonas aeruginosa, Staphylococcus aureus, and Bacillus subtilis, 11,12 and plant pathogenic fungi, such as Fusarium oxysporum, Aspergillus niger, and Penicillium chrysogenum. 8,13 However, its inhibitory effects and mode of action on U. virens are still unclear.…”

Absolute Configuration, Enantioselective Bioactivity, and Mechanism Study of the Novel Chiral Fungicide Benzovindiflupyr

“…39 In recent years, molecular docking has played an important role in the validation of agrochemical targets and provided effective tools for the development of novel pesticides. 40,41 Molecular docking has also been widely used to investigate the mechanism of enantioselective bioactivity of chiral pesticide at the molecular level based on the interaction between the enantiomers and the target proteins. 42,43 To investigate the mechanism of benzovindiflupyr enantiomers' enantioselective bioactivity, the 3D SDH mode was built by a homologous modeling method, and molecular docking studies were also performed on the benzovindiflupyr stereoisomers in the active site of SDH.…”