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Quantitative structure-activity relationship model for classifying the diverse series of antifungal agents using ratio weighted penalized logistic regression

Alharthi AM, Lee MH, Algamal ZY, Al-Fakih AM

SAR QSAR Environ Res, 2020 Aug;31(8):571-583.
PMID: 32628042 DOI: 10.1080/1062936X.2020.1782467

One of the most challenging issues when facing a Quantitative structure-activity relationship (QSAR) classification model is to deal with the descriptor selection. Penalized methods have been adapted and have gained popularity as a key for simultaneously performing descriptor selection and QSAR classification model estimation. However, penalized methods have drawbacks such as having biases and inconsistencies that make they lack the oracle properties. This paper proposes an adaptive penalized logistic regression (APLR) to overcome these drawbacks. This is done by employing a ratio (BWR) of the descriptors between-groups sum of squares (BSS) to the within-groups sum of squares (WSS) for each descriptor as a weight inside the L1-norm. The proposed method was applied to one dataset that consists of a diverse series of antimicrobial agents with their respective bioactivities against Candida albicans. By experimental study, it has been shown that the proposed method (APLR) was more efficient in the selection of descriptors and classification accuracy than the other competitive methods that could be used in developing QSAR classification models. Another dataset was also successfully experienced. Therefore, it can be concluded that the APLR method had significant impact on QSAR analysis and studies.

Matched MeSH terms: Candida albicans/drug effects*
Fulltext Microwave assisted synthesis, spectral and antifungal studies of 2-phenyl-N,N'-bis(pyridin-4-ylcarbonyl)butanediamide ligand and its metal complexes

Shiekh RA, Malik MA, Al-Thabaiti SA, Wani MY, Nabi A

ScientificWorldJournal, 2014;2014:404617.
PMID: 24772018 DOI: 10.1155/2014/404617

2-Phenyl-N,N'-bis(pyridin-4-ylcarbonyl)butanediamide ligand with a series of transition metal complexes has been synthesized via two routes: microwave irradiation and conventional heating method. Microwave irritation method happened to be the efficient and versatile route for the synthesis of these metal complexes. These complexes were found to have the general composition M(L)Cl2/M(L)(CH3COO)2 (where M = Cu(II), Co(II), Ni(II), and L = ligand). Different physical and spectroscopic techniques were used to investigate the structural features of the synthesized compounds, which supported an octahedral geometry for these complexes. In vitro antifungal activity of the ligand and its metal complexes revealed that the metal complexes are highly active compared to the standard drug. Metal complexes showed enhanced activity compared to the ligand, which is an important step towards the designing of antifungal drug candidates.

Matched MeSH terms: Candida albicans/drug effects
Fulltext Inhibitors of the glyoxylate cycle enzyme ICL1 in Candida albicans for potential use as antifungal agents

Cheah HL, Lim V, Sandai D

PLoS One, 2014;9(4):e95951.
PMID: 24781056 DOI: 10.1371/journal.pone.0095951

Candida albicans is an opportunistic pathogen that causes candidiasis in humans. In recent years, metabolic pathways in C. albicans have been explored as potential antifungal targets to treat candidiasis. The glyoxylate cycle, which enables C. albicans to survive in nutrient-limited host niches and its. Key enzymes (e.g., isocitrate lyase (ICL1), are particularly attractive antifungal targets for C. albicans. In this study, we used a new screening approach that better reflects the physiological environment that C. albicans cells experience during infection to identify potential inhibitors of ICL. Three compounds (caffeic acid (CAFF), rosmarinic acid (ROS), and apigenin (API)) were found to have antifungal activity against C. albicans when tested under glucose-depleted conditions. We further confirmed the inhibitory potential of these compounds against ICL using the ICL enzyme assay. Lastly, we assessed the bioavailability and toxicity of these compounds using Lipinski's rule-of-five and ADMET analysis.

Matched MeSH terms: Candida albicans/drug effects
Anti-Candida activity and brine shrimp toxicity assay of Ganoderma boninense

Daruliza KM, Fernandez L, Jegathambigai R, Sasidharan S

Eur Rev Med Pharmacol Sci, 2012 Jan;16(1):43-8.
PMID: 22338547

Ganoderma (G.) boninense is a white rot fungus, which can be found in the palm oil tree. Several studies have shown that G. boninense has antimicrobial and antagonistic properties. However, there is limited information reported on antifungal properties especially on Candida (C) albicans. Hence, this study was conducted to determine the anti-Candida activity of G. boninense against C albicans.

Matched MeSH terms: Candida albicans/drug effects*
Anti-Candida albicans activity and brine shrimp lethality test of Hevea brasiliensis latex B-serum

Daruliza KM, Yang KL, Lam KL, Priscilla JT, Sunderasan E, Ong MT

Eur Rev Med Pharmacol Sci, 2011 Oct;15(10):1163-71.
PMID: 22165677

Hevea brasiliensis extracts could potentially be employed as a relatively low cost resource for various anti-fungal activities due to the simplicity of the extract preparation and its abundance especially in the tropical region. Latex B-serum was reported to have anti-cancer property and its specificity in anti-fungal property has not been elucidated. The present study was conducted to determine the anti-fungal activity of Hevea latex B-serum against Candida (C.) albicans (a rounded cell fungus) and Aspergillus (A.) niger (a filamentous fungus).

Matched MeSH terms: Candida albicans/drug effects*
Effects of Vernonia cinerea less methanol extract on growth and morphogenesis of Candida albicans

Latha LY, Darah I, Jain K, Sasidharan S

Eur Rev Med Pharmacol Sci, 2011 May;15(5):543-9.
PMID: 21744750

Vernonia (V.) cinerea Less (Asteraceae) have many therapeutic uses in the practice of traditional medicine. The methanol extract of V cinerea, was screened for antiyeast activity against pathogenic yeast Candida albicans.

Matched MeSH terms: Candida albicans/drug effects*
Fulltext A transmission electron microscopy study of the diversity of Candida albicans cells induced by Euphorbia hirta L. leaf extract in vitro

Basma AA, Zuraini Z, Sasidharan S

Asian Pac J Trop Biomed, 2011 Jan;1(1):20-2.
PMID: 23569719 DOI: 10.1016/S2221-1691(11)60062-2

To determine the major changes in the microstructure of Candida albicans (C. albicans) after treatment with Euphorbia hirta (E. hirta) L. leaf extract.

Matched MeSH terms: Candida albicans/drug effects*
In situ TEM and SEM studies on the antimicrobial activity and prevention of Candida albicans biofilm by Cassia spectabilis extract

Sangetha S, Zuraini Z, Suryani S, Sasidharan S

Micron, 2009 Jun;40(4):439-43.
PMID: 19261482 DOI: 10.1016/j.micron.2009.01.003

The inhibitory effect of Cassia spectabilis methanol leaf extract was evaluated against biofilm forming Candida albicans, which was sensitive to 6.25 mg/ml concentration of the extract. Transmission (TEM) and scanning electron microscope (SEM) observations were used to study the anticandidal activity and prevention of biofilm formation by the C. spectabilis extract. SEM analysis further revealed reduction in C. albicans biofilm in response to the extract. The main abnormalities noted via TEM study was the alterations in morphology and complete collapse of the yeast cells after 36 h of exposure to the extract. The significant antifungal activity shown by this methanol extract of C. spectabilis suggests its potential against infections caused by C. albicans.

Matched MeSH terms: Candida albicans/drug effects*
Fungicidal effect and oral acute toxicity of Cassia spectabilis leaf extract

Sangetha S, Zuraini Z, Sasidharan S, Suryani S

Nihon Ishinkin Gakkai Zasshi, 2008;49(4):299-304.
PMID: 19001757

The fungicidal activity of Cassia spectabilis leaf extracts was investigated using the disk diffusion technique and the broth dilution method. The extract showed a favorable antimicrobial activity against Candida albicans with a minimum inhibition concentration(MIC) value of 6.25 mg / ml. Apart from the fungicidal effects, imaging using scanning electron microscopy (SEM) was done to determine the major alterations in the microstructure of the C. albicans. The main abnormalities noted in the SEM studies were the alterations in morphology and complete collapse of the yeast cells after 36 h of exposure to the extract. The in vitro time-kill study performed using the leaf extract at 1/2, 1 or 2 times of the MIC significantly inhibited the yeast growth with a noticeable drop in optical density (OD) of yeast culture, thus confirming the fungicidal effect of the extract on C. albicans. In addition, in vivo antifungal activity studies on candidiasis in mice showed a 5-fold decrease in Candida in kidneys and blood samples in the groups of animals treated with the extract (2.5 g / kg body weight). In an acute toxicity study using mice, the acute minimum fatal dose of the extract was greater than 2000 mg / kg, and we found no histopathological changes in macroscopic examination by necropsy of mice treated with extract. We conclude that the extract may be safely used as an anticandidal agent.

Matched MeSH terms: Candida albicans/drug effects
Newly formulated 5% 5-aminolevulinic acid photodynamic therapy on Candida albicans

Greco G, Di Piazza S, Chan J, Zotti M, Hanna R, Gheno E, et al.

Photodiagnosis Photodyn Ther, 2020 Mar;29:101575.
PMID: 31614222 DOI: 10.1016/j.pdpdt.2019.10.010

BACKGROUND: A large number of systemic diseases can be linked to oral candida pathogenicity. The global trend of invasive candidiasis has increased progressively and is often accentuated by increasing Candida albicans resistance to the most common antifungal medications. Photodynamic therapy (PDT) is a promising therapeutic approach for oral microbial infections. A new formulation of 5-aminolevulinic acid (5%ALA) in a thermosetting gel (t) (5%ALA-PTt) was patented and recently has become available on the market. However, its antimicrobial properties, whether mediated or not by PDT, are not yet known. In this work we characterised them.
METHODS: We isolated a strain of C. albicans from plaques on the oral mucus membrane of an infected patient. Colonies of this strain were exposed for 1 24 h, to 5%ALA-PTt, 5%ALA-PTt buffered to pH 6.5 (the pH of the oral mucosa) (5%ALA-PTtb) or not exposed (control). The 1 h-exposed samples were also irradiated at a wavelength of 630 nm with 0.14 watts (W) and 0.37 W/cm2 for 7 min at a distance of <1 mm.
RESULTS AND CONCLUSION: The 5% ALA-PTt preparation was shown to be effective in reducing the growth of biofilm and inoculum of C. albicans. This effect seems to be linked to the intrinsic characteristics of 5%ALA-TPt, such acidic pH and the induction of free radical production. This outcome was significantly enhanced by the effect of PDT at relatively short incubation and irradiation times, which resulted in growth inhibition of both treated biofilm and inoculum by ∼80% and ∼95%, respectively.

Matched MeSH terms: Candida albicans/drug effects*
QSAR classification model for diverse series of antifungal agents based on improved binary differential search algorithm

Al-Fakih AM, Algamal ZY, Lee MH, Aziz M, Ali HTM

SAR QSAR Environ Res, 2019 Feb;30(2):131-143.
PMID: 30734580 DOI: 10.1080/1062936X.2019.1568298

An improved binary differential search (improved BDS) algorithm is proposed for QSAR classification of diverse series of antimicrobial compounds against Candida albicans inhibitors. The transfer functions is the most important component of the BDS algorithm, and converts continuous values of the donor into discrete values. In this paper, the eight types of transfer functions are investigated to verify their efficiency in improving BDS algorithm performance in QSAR classification. The performance was evaluated using three metrics: classification accuracy (CA), geometric mean of sensitivity and specificity (G-mean), and area under the curve. The Kruskal-Wallis test was also applied to show the statistical differences between the functions. Two functions, S1 and V4, show the best classification achievement, with a slightly better performance of V4 than S1. The V4 function takes the lowest iterations and selects the fewest descriptors. In addition, the V4 function yields the best CA and G-mean of 98.07% and 0.977%, respectively. The results prove that the V4 transfer function significantly improves the performance of the original BDS.

Matched MeSH terms: Candida albicans/drug effects
Fulltext Biological effects of vanillic acid, iso-vanillic acid, and orto-vanillic acid as environmental pollutants

Matejczyk M, Ofman P, Juszczuk-Kubiak E, Świsłocka R, Shing WL, Kesari KK, et al.

Ecotoxicol Environ Saf, 2024 Jun 01;277:116383.
PMID: 38663192 DOI: 10.1016/j.ecoenv.2024.116383

Vanillic acid (4-hydroxy-3-methoxybenzoic acid) (VA) is a natural benzoic acid derivative commonly found in herbs, rice, maize, and some fruits and vegetables. However, due to the wide use of VA in various industrial sectors, its presence in the environment might harm living organisms. This study evaluated the toxicity of VA and its isomers, iso-VA and orto-VA. Firstly, the antimicrobial effect of VA and its isomers iso-VA and orto-VA (in doses of 1000; 100, 10, 1; 0.1; 0.01 mg/L) against Escherichia coli, Sarcina spp., Enterobacter homaechei, Staphylococcus aureus and Candida albicans were identified. The toxic effect and protein degradation potential of VA and its isomers were determined using E. coli grpE:luxCDABE and lac:luxCDABE biosensor strains. However, the genotoxicity and oxidative stress generation were assessed with the E. coli recA:luxCDABE biosensor and E. coli strain. The results showed that VA, iso-VA, and orto-VA exhibited antimicrobial activity against all tested bacterial strains. However, VA's antimicrobial effect differed from iso-VA and orto-VA. Similar toxic, genotoxic, and oxidative stress-inducing effects were observed for VA and its isomers. Each compound exhibited toxicity, cellular protein degradation, and genotoxic activity against E. coli grpE:luxCDABE, E. coli lac:luxCDABE, and E. coli recA:luxCDABE strains. Analysis of reactive oxygen species (ROS) generation within E. coli cells highlighted oxidative stress as a contributing factor to the toxicity and genotoxicity of VA and its isomers. While the findings suggest potential applications of VA compounds as food preservatives, their presence in the environment raises concerns regarding the risks posed to living organisms due to their toxic and genotoxic characteristics.

Matched MeSH terms: Candida albicans/drug effects
Fulltext In vitro, in situ and in vivo studies on the anticandidal activity of Cassia fistula seed extract

Jothy SL, Zakariah Z, Chen Y, Sasidharan S

Molecules, 2012 Jun 07;17(6):6997-7009.
PMID: 22678414 DOI: 10.3390/molecules17066997

Cassia fistula seeds have many therapeutic uses in traditional medicine practice. The present investigation was undertaken to demonstrate the anticandidal activity of the C. fistula seed extract at ultra-structural level through transmission electron microscope (TEM) and scanning electron microscope (SEM) observations. The effect of seed extract on the growth profile of the Candida albicans was examined via time-kill assays and in vivo efficacy of the extract was tested in an animal model. In addition, the anticandidal effect of seed extract was further evaluated by microscopic observations using SEM and TEM to determine any major alterations in the ultrastructure of C. albicans. The complete inhibition of C. albicans growth was shown by C. fistula seed extract at 6.25 mg/mL concentration. The time-kill assay suggested that C. fistula seed extract had completely inhibited the growth of C. albicans and also exhibited prolonged anti-yeast activity. The SEM and TEM observations carried out to distinguish the metamorphosis in the morphology of control and C. fistula seed extract-treated C. albicans cells revealed the notable effect on the outer cell wall and cytoplasmic content of the C. albicans and complete collapse of yeast cell exposed to seed extract at concentration 6.25 mg/mL at 36 h. The in vitro time-kill study performed using the leaf extract at 1/2, 1 or 2 times of the MIC significantly inhibited the yeast growth with a noticeable drop in optical density (OD) of yeast culture, thus confirming the fungicidal effect of the extract on C. albicans. In addition, in vivo antifungal activity studies on candidiasis in mice showed a 6-fold decrease in C. albicans in kidneys and blood samples in the groups of animals treated with the extract (2.5 g/kg body weight). The results suggested that the C. fistula seed extract possessed good anticandidal activity and is a potential candidate for the development of anticandidal agents.

Matched MeSH terms: Candida albicans/drug effects
In vitro and in situ antiyeast activity of Gracilaria changii methanol extract against Candida albicans

Sasidharan S, Darah I, Jain K

Eur Rev Med Pharmacol Sci, 2011 Sep;15(9):1020-6.
PMID: 22013724

The Gracilaria (G.) sp are widely used in the traditional medicine in Malaysia. The methanol extract of Gracilaria changii B.M. Xia & I.A. Abbott (Gracilariaciae) was evaluated for antiyeast activity against Candida albicans (Berkhout).

Matched MeSH terms: Candida albicans/drug effects*
Fulltext Bioassay-directed isolation of active compounds with antiyeast activity from a Cassia fistula seed extract

Jothy SL, Zakaria Z, Chen Y, Lau YL, Latha LY, Shin LN, et al.

Molecules, 2011 Sep 05;16(9):7583-92.
PMID: 21894090 DOI: 10.3390/molecules16097583

BACKGROUND AND OBJECTIVE: Cassia fistula L belongs to the family Leguminosae, and it is one of the most popular herbal products in tropical countries. C. fistula seeds have been used as a herbal medicine and have pharmacological activity which includes anti-bacterial, anti-fungal, and antioxidant properties. The goal of this study was to identify compounds from C. fistula seeds which are responsible for anti-Candida albicans activity using bioassay-directed isolation.
RESULTS: The preliminary phytochemical screening of the plant seed revealed the presence of anthraquinones, flavonoids, saponins, tannins and terpenoids. The isolation of active compounds was carried out in four steps: multiple extractions, fractionation using column chromatography and purification using preparative thin-layer chromatography (TLC) and liquid chromatography/mass spectrometry (LC/MS). The structure of separated compounds was determined on the basis of mass spectrometry data. One compound was identified is roseanone.
CONCLUSIONS: The MS analysis on the active fraction from seed extract of C. fistula confirmed the presence of roseanone with antiyeast activity.

Matched MeSH terms: Candida albicans/drug effects
Antimicrobial activity of tiger's betel (Piper porphyrophyllum N.E. Br., Piperaceae)

Wiart C, Hannah NA, Yassim M, Hamimah H, Sulaiman M

Phytother Res, 2004 Sep;18(9):783-4.
PMID: 15478188

The ethanol extract of leaves of Piper porphyrophyllum N.E. Br. showed a broad spectrum of antibacterial activity. The activity was increased on fractionation (hexane, dichloromethane and aqueous), particularly in the aqueous fraction. No activity was shown against tested Candida albicans.

Matched MeSH terms: Candida albicans/drug effects
Fulltext Distribution, antifungal susceptibility pattern and intra-Candida albicans species complex prevalence of Candida africana: A systematic review and meta-analysis

Gharehbolagh SA, Fallah B, Izadi A, Ardestani ZS, Malekifar P, M Borman A, et al.

PLoS One, 2020;15(8):e0237046.
PMID: 32817677 DOI: 10.1371/journal.pone.0237046

Candida africana is a pathogenic species within the Candida albicans species complex. Due to the limited knowledge concerning its prevalence and antifungal susceptibility profiles, a comprehensive study is overdue. Accordingly, we performed a search of the electronic databases for literature published in the English language between 1 January 2001 and 21 March 2020. Citations were screened, relevant articles were identified, and data were extracted to determine overall intra-C. albicans complex prevalence, geographical distribution, and antifungal susceptibility profiles for C. africana. From a total of 366 articles, 41 were eligible for inclusion in this study. Our results showed that C. africana has a worldwide distribution. The pooled intra-C. albicans complex prevalence of C. africana was 1.67% (95% CI 0.98-2.49). Prevalence data were available for 11 countries from 4 continents. Iran (3.02%, 95%CI 1.51-4.92) and Honduras (3.03%, 95% CI 0.83-10.39) had the highest values and Malaysia (0%) had the lowest prevalence. Vaginal specimens were the most common source of C. africana (92.81%; 155 out of 167 isolates with available data). However, this species has also been isolated from cases of balanitis, from patients with oral lesions, and from respiratory, urine, and cutaneous samples. Data concerning the susceptibility of C. africana to 16 antifungal drugs were available in the literature. Generally, the minimum inhibitory concentrations of antifungal drugs against this species were low. In conclusion, C. africana demonstrates geographical variation in prevalence and high susceptibility to antifungal drugs. However, due to the relative scarcity of existing data concerning this species, further studies will be required to establish more firm conclusions.

Matched MeSH terms: Candida albicans/drug effects
2-dodecanol (decyl methyl carbinol) inhibits hyphal formation and SIR2 expression in C. albicans

Lim CS, Wong WF, Rosli R, Ng KP, Seow HF, Chong PP

J Basic Microbiol, 2009 Dec;49(6):579-83.
PMID: 19810039 DOI: 10.1002/jobm.200900035

Candida albicans is capable of undergoing yeast-hypha transition to attain pathogenicity in humans. In this study, we investigated the differential expression of CaSIR2 via quantitative real-time PCR (qPCR), during yeast-hypha transition with and without the presence of 2-dodecanol. SIR2 transcript levels were found to be significantly enhanced after hyphal induction as compared to the yeast form. This study found that 2-dodecanol is able to inhibit hyphal development and block SIR2 up-regulation, even in hyphal-inducing growth conditions. We suggest that SIR2 may be involved in Candida albicans quorum-sensing and serum-induced yeast-hyphae transition via the Ras1-cAMP-Efg1 signalling cascade.

Matched MeSH terms: Candida albicans/drug effects*
Proteinase, phospholipase, biofilm forming abilities and antifungal susceptibilities of Malaysian Candida isolates from blood cultures

Tay ST, Abidin IA, Hassan H, Ng KP

Med Mycol, 2011 Jul;49(5):556-60.
PMID: 21254967 DOI: 10.3109/13693786.2010.551424

This study was conducted to determine the proteinase, phospholipase, and biofilm forming abilities of Candida isolates in blood cultures of specimens from patients at the University Malaya Medical Center, Kuala Lumpur, Malaysia. Proteinase and phospholipase activities were detected in 93.7% and 73.3%, respectively, of 15 Candida albicans isolates. Amongst the 26 non-C. albicans Candida isolates, proteinase and phospholipase activities were detected in 88.5% and 7.7% of the isolates, respectively. There was no significant difference in the expression levels of proteinase amongst the Candida isolates studied (P = 0.272), but the phospholipase activity of C. albicans was significantly higher than that of the non-C. albicans Candida isolates (P = 0.003). There was no significant difference in the biofilm forming abilities of C. albicans and non-C. albicans Candida isolates on the polystyrene microtiter wells (P = 0.379). In addition, the findings of this study demonstrate increased resistance of Candida isolates in biofilms to amphotericin and fluconazole, as compared to their planktonic counterparts.

Matched MeSH terms: Candida albicans/drug effects
Pleurotus sajor-caju can be used to synthesize silver nanoparticles with antifungal activity against Candida albicans

Musa SF, Yeat TS, Kamal LZM, Tabana YM, Ahmed MA, El Ouweini A, et al.

J Sci Food Agric, 2018 Feb;98(3):1197-1207.
PMID: 28746729 DOI: 10.1002/jsfa.8573

BACKGROUND: Green synthesis of silver nanoparticles (AgNPs) has become widely practiced worldwide. In this study, AgNPs were synthesized using a hot-water extract of the edible mushroom Pleurotus sajor-caju. The product, PSC-AgNPs, was characterized by using UV-visible spectra, dynamic light scattering analysis, transmission electron microscopy (TEM), X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectrometry. To assess its antifungal activity against Candida albicans, gene transcription and protein expression analyses were conducted for CaICL1 and its product, ICL, using real-time quantitative polymerase chain reaction and western blot, respectively.
RESULTS: PSC-AgNPs with an average particle size of 11.68 nm inhibited the growth of the pathogenic yeast C. albicans. Values for minimum inhibitory concentration and minimum fungicidal concentration were 250 and 500 mg L-1 , respectively. TEM images revealed that the average particle size of PSC-AgNPs was 16.8 nm, with the values for zeta potential and the polydispersity index being -8.54 mV and 0.137, respectively. XRD and FTIR spectra showed PSC-AgNPs to have a face-centered cubic crystalline structure. The polysaccharides and amino acid residues present in P. sajor-caju extract were found to be involved in reducing Ag+ to AgNP. Both CaICL1 transcription and ICL protein expression were found to be suppressed in the cells treated with PSC-AgNPs as compared with the control.
CONCLUSION: Our PSC-AgNP preparation makes for a promising antifungal agent that can downregulate isocitrate lyase. © 2017 Society of Chemical Industry.

Matched MeSH terms: Candida albicans/drug effects*

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