A new pipeline to discover antimycotics by inhibiting ergosterol and riboflavin synthesis: the inspirations of Siddha medicine

Prasanna, Govindarajan; Ujwal, A.; Diliprajudominic, S.; Marimuthu, T.; Saraswathi, Nadar

doi:10.1007/s00044-013-0858-z

Cited by 12 publications

(7 citation statements)

References 25 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The molecules ( E )-2-Butenoic acid propyl ester, Phenol, Sodium phenoxide, 4-Pyridinecarboxylic acid, s-Triazolo[4,3-a]pyridine, 1,2-Benzenedicarboxylic acid, 2,2-Dimethoxybutane and 2,3-Dicyanopropionamide were used and ligand structures (metabolites) were prepared by using ACD/ Chem Sketch based on Canonical SMILES obtained from Pub Chem ( https://www.ncbi.nlm.nih.gov/pccompound ). The crystal structure of protein LpxC [ 68 ] was retrieved as PDB file from protein data bank ( https://www.wwpdb.org/ ) and after the energy minimization [ 69 ], used as a receptor in molecular modeling. Molecular docking score was calculated using the online molecule system (More than molecule-Docking (Vina); https://mcule.com/ ) followed by the BIOVIA Discovery Studio 2016 (Accelrys Software Inc., San Diego, CA, USA) to observe the interactions between the protein and ligand.…”

Section: Methodsmentioning

confidence: 99%

Preservative effect of Chinese cabbage (Brassica rapa subsp. pekinensis) extract on their molecular docking, antioxidant and antimicrobial properties

Chellia

Saravanakumar

et al. 2018

PLoS ONE

View full text Add to dashboard Cite

This study aimed at investigating the antimicrobial activity of different solvent extracts of Chinese cabbage Brassica rapa subsp. pekinensis (BRARP) and their antioxidant and cytotoxicity properties. Of the different solvents extracts, the chloroform extracts (CE) were significantly inhibited the bacterial pathogens at minimum inhibitory concentration (MIC) of 16.5 mg.mL-1. Biochemical analysis revealed that total phenol (62.6 ± 0.05 mg GAE.g-1) and flavonoids (27.6 ± 0.04 mg QE.g-1) were higher in the extracts of BRARP, which resulted in enhanced antioxidant activity in CE. A total of eight dominant compounds were detected in the potent antimicrobial extract from BRARP based on GC-MS analysis. The molecular interactions study revealed that, among the screened compounds the 1,2-benzenedicarboxylic acid and 2,3-dicyanopropionamide interacted with the active site of pathogenicity and survival related protein with lipopolysaccharide (LpxC) with higer binding energy. This work concluded that the 1, 2-Benzenedicarboxylic acid and 2, 3-Dicyanopropionamide from BRARP was reported to be good non-cytotoxic and antioxidant antimicrobials against bacterial pathogens.

show abstract

Section: Methodsmentioning

confidence: 99%

Preservative effect of Chinese cabbage (Brassica rapa subsp. pekinensis) extract on their molecular docking, antioxidant and antimicrobial properties

Chellia

Saravanakumar

et al. 2018

PLoS ONE

View full text Add to dashboard Cite

show abstract

“…Ahmad et al, (2011) studied the Fungicidal activity of Thymol and Carvacrol; they found that both these molecules showed fungicidal activity by inhibiting ergosterol biosynthesis [22]. Prasanna et al, (2014) Curcumin, Demethoxycurcumin, Bisdemethoxy-curcumin including Fluconazole and Ketoconazole and they have given the binding energy of these molecules. Their study revealed that clitorin, mauritianin, and kaempferol bound to lanosterol 14 a-demethylase by hydrogen bonding and hydrophobic interaction [23].…”

Section: Discussionmentioning

confidence: 99%

“…Prasanna et al, (2014) Curcumin, Demethoxycurcumin, Bisdemethoxy-curcumin including Fluconazole and Ketoconazole and they have given the binding energy of these molecules. Their study revealed that clitorin, mauritianin, and kaempferol bound to lanosterol 14 a-demethylase by hydrogen bonding and hydrophobic interaction [23].…”

Section: Discussionmentioning

confidence: 99%

“…Out of 14 molecules, Caryophyllene-oxide, Betaionone, Indole-3-butyric-acid, Geranylgeranoil, Geranylacetate, Citral, Cinnamic-acid, Citronellol, Carvone, Borneol, Alpha-thujone, Cinnamaldehyde, Nicotinic-acid, and Allyl-alcohol, six molecules are already known to inhibit ergosterol biosynthesis. Caryophylleneoxide is known to inhibit the ergosterol biosynthesis [21,23]. Geranylacetate, Citral, Citronellol, Carvone, and Cinnamaldehyde are known to have inhibitory affect against lanosterol 14α-demethylase [14].…”

Section: Discussionmentioning

confidence: 99%

See 1 more Smart Citation

Phytochemicals as Potential Inhibitors of Lanosterol 14 Α-Demethylase (Cyp51) Enzyme: An in Silico Study on Sixty Molecules

2020

View full text Add to dashboard Cite

Lanosterol 14 α-demethylase (CYP51) is a key protein involved in ergosterol biosynthesis of Candida albicans and a crucial target for ergosterol synthesis inhibition. However, in the last two decades drug resistance is reported under clinical situations to most of the prescribed antifungal drugs like azole group of drugs. In this study, molecular docking of sixty plant molecules with Lanosterol 14 α-demethylase protein has been done. The homology modeling tool PHYRE2 was used to predict the structure of Lanosterol 14 α-demethylase. Predicted structure was used for docking studies with sixty plant molecules by using Autodock 1.5.6 cr2™. Among the sixty plant molecules, forty-seven were found to form hydrogen bond and the rest of the plant molecules did not form a hydrogen bond with Lanosterol 14 α-demethylase. Docking study of a library of sixty molecules revealed that 48 plant molecules showed an excellent and good binding affinity with predicted protein model Lanosterol 14 α-demethylase of Candida albicans. The binding residue comparison of docked molecules with that of Ketoconazole revealed, fourteen molecules have similar binding residue. These fourteen molecules may have a similar mode of action as that of Ketoconazole. These molecules should be screened and used to discover new antifungal therapeutic drugs.

show abstract

“…The use of phytochemicals and natural products for the treatment of various diseases is gaining worldwide attention (118,119). Prior to the discovery of antibiotics, herbal extracts played an important role in the treatment of diseases (120), and purified natural products and herbal extracts now provide a rich pool of compounds for the development of novel antiviral drugs (121). Lin et al (122) summarized the antiviral activity of various natural products and herbal medicines against some notable viral pathogens, including RSV, measles virus, dengue virus, influenza virus, human immunodeficiency virus (HIV), HSV, HCV, hepatitis B virus, enterovirus 71, coxsackievirus and coronavirus.…”

Section: Therapeutic Benefits Of Herbal Extracts For Respiratory Compmentioning

confidence: 99%

Nutraceuticals and herbal extracts: A ray of hope for COVID‑19 and related infections (Review)

2020

View full text Add to dashboard Cite

The global pandemic caused by the novel coronavirus disease 2019 (COVID-19), for which there is no effective vaccine or treatment available yet, has led to a global health emergency. Despite a lack of clinical data, compelling evidence from the literature suggests that certain nutraceuticals (such as omega-3 fats, β-glucans, amino acids, probiotics, vitamins and minerals) and plant-based compounds derived from herbal extracts may potentially be used in the treatment of COVID-19. In the present review article, the benefits of such natural products in treating various respiratory complications are highlighted, and it is tentatively suggested that these benefits could be extrapolated to COVID-19. These natural compounds may not only modulate the immunity of a susceptible population, but may also pave the way towards the development of drugs which may be used to treat COVID-19. Although attention has recently focused on these compounds in this context, further clinical and experimental studies are required to validate their efficacy. It is thus suggested that the in vitro and in vivo evaluation of these compounds be carried out as soon as possible, in order to counteract the ongoing increase in the number of cases of COVID-19. Contents 1. Introduction 2. Therapeutic benefits of nutraceuticals for respiratory complications 3. Therapeutic benefits of herbal extracts for respiratory complications 4. Conclusion Prevention and treatment of COVID-19. As of August 5, 2020, no vaccine or successful treatment for COVID-19 has been reported and only supportive care, personal protection, early diagnosis and isolation are available to reduce the spread and severity of the infection (5). Huang et al (6) reported that patients with COVID-19 develop acute respiratory distress syndrome, followed by anemia, acute heart injuries and secondary infections. Empirical therapy with antibiotics (including cephalosporins, azithromycin, vancomycin, quinolones, tigecycline and carbapenems), antivirals (including lopinavir, ritonavir, remdesivir and oseltamivir) and corticosteroids (including dexamethasone and methylprednisolone) has thus been used for the treatment of patients with COVID-19 (7). The clinical efficacy of all of these treatments, however, warrants further confirmation. Potential agents with which to combat COVID-19. Research proposals and clinical trials have suggested that some treatments, including supplements and phytochemicals, have the potential to help fight coronavirus infection. A recent study suggested that the risk of becoming infected could be reduced by vitamin D3 supplementation. Serum concentrations >40-60 ng/ml (100-150 nmol/l) were suggested to be

show abstract

A new pipeline to discover antimycotics by inhibiting ergosterol and riboflavin synthesis: the inspirations of Siddha medicine

Cited by 12 publications

References 25 publications

Preservative effect of Chinese cabbage (Brassica rapa subsp. pekinensis) extract on their molecular docking, antioxidant and antimicrobial properties

Preservative effect of Chinese cabbage (Brassica rapa subsp. pekinensis) extract on their molecular docking, antioxidant and antimicrobial properties

Phytochemicals as Potential Inhibitors of Lanosterol 14 Α-Demethylase (Cyp51) Enzyme: An in Silico Study on Sixty Molecules

Nutraceuticals and herbal extracts: A ray of hope for COVID‑19 and related infections (Review)

Contact Info

Product

Resources

About