Macromolecular Docking Simulation to Identify Binding Site of FGB1 for Antifungal Compounds

Soundararajan, Prabhakaran,Sakkiah, Sugunadevi,Sivanesan, Iyyakkannu,Lee, Keun-Woo,Jeong, Byoung-Ryong Korean Chemical Society 2011 Bulletin of the Korean Chemical Society Vol.32 No.10

Fusarium oxysporum, an important pathogen that mainly causes vascular or fusarium wilt disease which leads to economic loss. Disruption of gene encoding a heterotrimeric G-protein-${\beta}$-subunit (FGB1), led to decreased intracellular cAMP levels, reduced pathogenicity, colony morphology, and germination. The plant defense protein, Nicotiana alata defensin (NaD1) displays potent antifungal activity against a variety of agronomically important filamentous fungi. In this paper, we performed a molecular modeling and docking studies to find vital amino acids which can interact with various antifungal compounds using Discovery Studio v2.5 and GRAMMX, respectively. The docking results from FGB1-NaD1 and FGB1-antifungal complexes, revealed the vital amino acids such as His64, Trp65, Ser194, Leu195, Gln237, Phe238, Val324 and Asn326, and suggested that the anidulafungin is a the good antifungal compound.The predicted interaction can greatly assist in understanding structural insights for studying the pathogen and host-component interactions.

Macromolecular Docking Simulation to Identify Binding Site of FGB1 for Antifungal Compounds

Prabhakaran Soundararajan,정병룡,Iyyakkannu Sivanesan,Sugunadevi Sakkiah,이근우 대한화학회 2011 Bulletin of the Korean Chemical Society Vol.32 No.10

Fusarium oxysporum, an important pathogen that mainly causes vascular or fusarium wilt disease which leads to economic loss. Disruption of gene encoding a heterotrimeric G-protein-β-subunit (FGB1), led to decreased intracellular cAMP levels, reduced pathogenicity, colony morphology, and germination. The plant defense protein, Nicotiana alata defensin (NaD1) displays potent antifungal activity against a variety of agronomically important filamentous fungi. In this paper, we performed a molecular modeling and docking studies to find vital amino acids which can interact with various antifungal compounds using Discovery Studio v2.5 and GRAMMX,respectively. The docking results from FGB1-NaD1 and FGB1-antifungal complexes, revealed the vital amino acids such as His64, Trp65, Ser194, Leu195, Gln237, Phe238, Val324 and Asn326, and suggested that the anidulafungin is a the good antifungal compound.The predicted interaction can greatly assist in understanding structural insights for studying the pathogen and host-component interactions.

Lactobacillus plantarum AF1이 생성한 조항진균 물질의 마우스에 대한 급성독성

손희경(Hee-Kyoung Son),이명렬(Myung-Yul Lee),장해춘(Hae-Choon Chang),이재준(Jae-Joon Lee) 한국식품영양과학회 2013 한국식품영양과학회지 Vol.42 No.6

본 연구는 김치로부터 항진균 활성을 보이는 유산균인 Lactobacillus(Lb.) plantarum AF1이 생산하는 조항진균 물질의 부분 정제물이 천연 식품보존제 및 사료보존제로서 사용 가능성을 알아보기 위하여 안전성을 평가하고자 단회 급성독성시험을 실시하였다. 급성독성시험을 위하여 경구로1회 시험물질을 최고 용량(2,000 mg/kg)으로 하여 ICR계통 암수 마우스에게 용량별 각 군당 10 마리씩 투여한 후 14일간의 일반증상, 사망률, 체중, 임상증상 및 육안적 소견을 관찰하였다. 단회 경구투여한 후 모든 시험군에서 사망례가 관찰되지 않았으며, 시험동물은 시험 종료 시까지 계속 생존하여 평균치사량을 산출할 수 없었다. 경구투여한 후 마우스의 체중변화에 있어서도 암수 모두 대조군과 시료물질 투여군 사이에 유의성 있는 차이는 보이지 않았으며, 용량 의존적인 차이도 볼 수 없었다. 경구투여한 후 시험 종료한 다음 생존동물 모두를 부검하여 주요 장기의 육안적 소견을 관찰한 결과 대조군과 시료투여군 모두에서 외관상이나 내부 장기에 어떠한 이상소견이나 병변이 관찰되지 않았다. 이상의 결과로부터 시험물질인 Lb. plantarum AF1이 생산한 조항진균 물질을 경구투여 시 ICR계통 암수 마우스에서 독성학적인 변화가 관찰되지 않았으며, LD50은 경구투여 시 2,000mg/kg 이상인 저독성의 안전한 물질로 사료된다. We investigated the acute toxicity from a single dose of crude anti-fungal compounds produced by Lactobacillus plantarum AF1, a lactic acid bacterium isolated from kimchi, on ICR male and female mice in vivo. The test article was orally administered once to both sexes of mice. The mortality rate, clinical findings, autopsy findings, and body weight changes were monitored daily for 14 days. In the oral acute toxicity test, male and female mice were gavaged with four doses (5, 50, 300 or 2,000 mg/kg) of the crude anti-fungal compounds. The oral LD50 of the crude anti-fungal compounds was higher than 2,000 mg/kg. No significant changes in general conditions, body weights, clinical signs, or appearance of gross lesions were observed. In conclusion, our results suggest a low toxicity and no-adverse-effects from crude anti-fungal compounds produced by Lactobacillus plantarum AF1 up to 2,000 mg/kg via the oral route.

편백나무 건조 중 발생하는 휘발성 유기화합물의 항진균 및 항산화 활성

서영준,이재원,Seo, Young-Jun,Lee, Jae-Won 한국미생물학회 2012 미생물학회지 Vol.48 No.4

In this study, we evaluated antifungal and antioxidant activities of condensed liquid of volatile organic compounds generated during the drying process of Chamaecyparis obtuse. Condensed liquid of volatile organic compounds were extracted with hexane and ethyl acetate, respectively. The extracts were used for antifungal activity at range from 100 to 500 mg/L Antifungal activity of extracts increased as the extracts concentration increased, the activity against tested dermatophytes was high at 500 mg/L. Among extract solvents, antifungal activity was higher at hexane extract than the ethyl acetate. Especially, the antifungal activity against Trichophyton rubrum was higher than other tested dermatophytes. Antioxidant activity was 90% above 25 mg/L regardless of the extractive solvents, while the hexane extract showed high antioxidant activity below 25 mg/L. Major compounds of hexane extract were torreyol, alpha-cadinol, and tau-cadinol. However, major compounds of ethyl acetate extract were alpha-amorphene, alpha-cadinol, and gamma-cadinene. 본 연구는 편백나무 건조 중 발생하는 휘발성 유기화합물로 구성된 응축수에 대해 항진균 및 항산화 활성을 평가하였다. 응축수는 hexane과 ethyl acetate로 각각 추출하였으며 추출액의 농도 100-500 mg/L에서 피부사상균에 대한 항진균 활성을 측정하였다. 추출액 농도가 증가할수록 항진균 효과도 증가하였으며 500 mg/L에서는 모든 피부사상균에 대해 높은 항진균 활성을 나타냈다. 추출용매에 따라서는 hexane으로 추출하였을 경우 높은 활성을 나타냈으며, 특히 Trichophyton rubrum에 대한 항진균 활성이 높았다. 항산화 활성을 측정한 결과 25 mg/L 이상의 농도에서는 90% 이상의 항산화 활성을 나타냈으며 추출용매에 따른 차이는 거의 없었다. 하지만 25 mg/L 이하의 농도에서는 hexane 추출물에서 높은 항산화 활성을 나타냈다. 각각의 추출물 구성성분을 분석한 결과 hexane 추출물의 주요 구성성분은 torreyol, alpha-cadinol, tau-cadinol이며, ethyl acetate 추출물의 주요 구성성분은 alpha-amorphene, alpha-cadinol, gamma-cadinene으로 나타났다.

메주에서 분리한 Bacillus polyfermenticus CJ6가 생산하는 항진균 물질의 분리 및 특성

양은주 ( Eun Ju Yang ),마승진 ( Seung Jin Ma ),장해춘 ( Hae Choon Chang ) 한국미생물생명공학회 ( 구 한국산업미생물학회 ) 2012 한국미생물·생명공학회지 Vol.40 No.1

Antifungal compounds from Bacillus polyfermenticus CJ6 were purified using SPE, preparative HPLC, and reverse phase-HPLC. Antifungal compounds from B. polyfermenticus CJ6 were separated into three fractions (8, B, C) using preparative HPLC. LC/MS analysis of antifungal peaks suggested that B. polyfermenticus CJ6 produces lipopeptides; two kinds of iturin A (C14, C15), three kinds of surfactins (C13, C14, C15), four kinds of fengycin A (C14, C15, C16, C17) and two kinds fengycin B (C16, C17). The antifungal activity of fraction 8, which was presumed as inturin A, was found to be stable after the pH, heat or proteolytic enzyme treatment, but it was unstable at 50-70oC for 24 hr. The antifungal activity of fraction B, which presumed as surfactins and fengycin A, was found to be stable after the heat treatment, but it was unstable in the pH 3.0 and after the protease (type I) or α-chymotrypsin treatment. The antifungal activity of fraction C, which was presumed as fengycin A and B, was found to be stable in the pH 3.0-9.0 range and the heat treatment, but it was unstable with the treatment of protease (type I). The amino acid composition of the purified peaks 8-1 and 8-2 were Asx, Tyr, Gln, Pro, and Ser in a molar ratio of 3:1:1:1:1, which showed the same amino acid composition as iturin. From these results, we confirmed that antifungal compounds from B. polyfermenticus CJ6 most likely belonged to iturin A as well as surfactins and fengycins. As lipopeptides are known to act in a synergistic manner, the antifungal compounds from B. polyfermenticus CJ6 might have potential uses in biotechnology and biopharmaceutical applications.

Acute and Subacute Oral Toxicity Evaluation of Crude Antifungal Compounds Produced by Lactobacillus plantarum HD1 in Rats

Son, Hee-Kyoung,Chang, Hae-Choon,Lee, Jae-Joon The Korean Society of Food Science and Nutrition 2015 Preventive Nutrition and Food Science Vol.20 No.3

The aim of this study was to investigate the acute and subacute oral toxicity of crude antifungal compounds produced by Lactobacillus plantarum HD1 in Sprague-Dawley rats. In the acute toxicity study, the crude antifungal compounds (0.625, 1.25, 2.5, and 5.0 g/kg) did not produce mortality, significant changes in general behavior, or changes in the gross appearance of the organs. In the subacute toxicity study, the crude antifungal compounds were administered orally to rats at doses of 0, 0.5, 1.0, and 2.0 g/kg daily for 28 days. There were no test article-related deaths, abnormal clinical signs, or body weight changes. The study also showed no significant differences between the control and treated groups in hematological and serum biochemical parameters, histopathological examination, or any other findings. These results suggest that acute or subacute oral administration of crude antifungal compounds from L. plantarum HD1 is not toxic in rats.

Acute and Subacute Oral Toxicity Evaluation of Crude Antifungal Compounds Produced by Lactobacillus Plantarum HD1 in Rats

손희경,장해춘,이재준 한국식품영양과학회 2015 Preventive Nutrition and Food Science Vol.20 No.3

The aim of this study was to investigate the acute and subacute oral toxicity of crude antifungal compounds produced by Lactobacillus plantarum HD1 in Sprague-Dawley (SD) rats. In the acute toxicity study, the crude antifungal compounds (0.625, 1.25, 2.5, and 5.0 g/kg) did not produce mortality, significant changes in general behavior, or changes in the gross appearance of the organs. In the subacute toxicity study, the crude antifungal compounds were administered orally to rats at doses of 0, 0.5, 1.0, and 2.0 g/kg daily for 28 days. There were no test article-related deaths, abnormal clinical signs, or body weight changes. The study also showed no significant differences between the control and treated groups in hematological and serum biochemical parameters, histopathological examination, or any other findings. These results suggest that acute or subacute oral administration of crude antifungal compounds from L. plantarum HD1 is not toxic in rats.

Acute and Subacute Oral Toxicity Evaluation of Crude Antifungal Compounds Produced by Lactobacillus plantarum HD1 in Rats

Hee-Kyoung Son,Hae-Choon Chang,Jae-Joon Lee 한국식품영양과학회 2015 Preventive Nutrition and Food Science Vol.20 No.3

The aim of this study was to investigate the acute and subacute oral toxicity of crude antifungal compounds produced by Lactobacillus plantarum HD1 in Sprague-Dawley rats. In the acute toxicity study, the crude antifungal compounds (0.625, 1.25, 2.5, and 5.0 g/kg) did not produce mortality, significant changes in general behavior, or changes in the gross appearance of the organs. In the subacute toxicity study, the crude antifungal compounds were administered orally to rats at doses of 0, 0.5, 1.0, and 2.0 g/kg daily for 28 days. There were no test article-related deaths, abnormal clinical signs, or body weight changes. The study also showed no significant differences between the control and treated groups in hematological and serum biochemical parameters, histopathological examination, or any other findings. These results suggest that acute or subacute oral administration of crude antifungal compounds from L. plantarum HD1 is not toxic in rats.

Research notes : Nonanoic Acid, an Antifungal Compound from Hibiscus syriacus Ggoma

( Yun Woo Jang ),( Jin Young Jung ),( In Kyoung Lee ),( Si Yong Kang ),( Bong Sik Yun ) 한국균학회 2012 Mycobiology Vol.40 No.2

The root of Hibiscus syriacus (Malvaceae) has been used for treatment of fungal diseases such as tinea pedis (athlete`s foot). In this study, we investigated the antifungal constituent of the root of Hibiscus syriacus Ggoma, which was produced by a mutation breeding using gamma ray irradiation, and compared the antifungal activity of H. syriacus Ggoma and its parent type. According to the results, the methanolic extract of H. syriacus Ggoma exhibited four times higher antifungal activity than its parent type against Trichophyton mentagrophytes. Following purification through various column chromatographies, the antifungal substance was identified as nonanoic acid on the basis of spectroscopic analysis.

Isolation of Antifungal Activity of Leuconostoc mesenteroides TA from Kimchi and Characterization of Its Antifungal Compounds

이설화,장해춘 한국식품과학회 2016 Food Science and Biotechnology Vol.25 No.1

Strain TA harboring antifungal activity was isolated from kimchi and identified based on Gram-staining, biochemical properties using an API 50 CHL, determination of rRNA gene sequences, and RAPD analysis. The determined gene sequences and RAPD pattern showed 100% homology with those of Leuconostoc mesenteroides ATCC 8293T. However, their properties were slightly different from each other. Especially, TA could not utilize lactose while strain ATCC 8293 could use lactose. Leu. mesenteroides ATCC 8293 showed higher antibacterial activity against Bacillus cereus than Leu. mesenteroides TA, whereas the antifungal activities of these 2 LAB against Aspergillus fumigatus were the same. Leu. mesenteroides TA showed broad antimicrobial activities against Gram-positive and - negative bacteria as well as molds. We determined that the responsible antifungal compounds from Leu. mesenteroides TA are lactic acid, acetic acid and unidentified hydrophobic compound(s). Additionally, synergistic interactions involving acetic acid, lactic acid, phenyllactic acid, and unidentified hydrophobic compound(s) contribute to the overall inhibitory activity of Leu. mesenteroides TA.