Plausible Mechanistic Insights in Biofilm Eradication Potential against Candida spp. Using In Situ-Synthesized Tyrosol-Functionalized Chitosan Gold Nanoparticles as a Versatile Antifouling Coating on Implant Surfaces.

In the present study, tyrosol-functionalized chitosan gold nanoparticles (Chi-TY-AuNPs) were prepared as an alternative treatment strategy to combat fungal infections. Various biophysical techniques were used to characterize the synthesized Chi-TY-AuNPs. The antifungal and antibiofilm activities of Chi-TY-AuNPs were evaluated against Candida albicans and C. glabrata, and efforts have been made to elucidate the possible mechanism of action. Chi-TY-AuNPs showed a high fungicidal effect against both sessile and planktonic cells of Candida spp. Additionally, Chi-TY-AuNPs completely eradicated (100%) the mature biofilms of both the Candida spp. FESEM analysis highlighted the morphological alterations in Chi-TY-AuNP-treated Candida biofilm cells. The effect of Chi-TY-AuNPs on the ECM components showed significant reduction in protein content in the C. glabrata biofilm and substantial decrease in extracellular DNA content of both the Candida spp. ROS generation analysis using DCFDA-PI staining showed high ROS levels in both the Candida spp., whereas pronounced ROS production was observed in the Chi-TY-AuNP-treated C. glabrata biofilm. Biochemical analysis revealed decreased ergosterol content in Chi-TY-AuNP-treated C. glabrata cells, while inconsequential changes were observed in C. albican s. Furthermore, the transcriptional expression of selected genes (ergosterol biosynthesis, efflux, sterol importer, and glucan biogenesis) was reduced in C. glabrata in response to Chi-TY-AuNPs except ERG11 and CDR1. Conclusively, the result showed the biofilm inhibition and biofilm eradication efficacy of Chi-TY-AuNPs in both the Candida spp. Findings of the present study manifest Chi-TY-AuNPs as a potential therapeutic solution to Candida biofilm-related chronic infections and overcome biofilm antifungal resistance.

Elucidating the bioremediation mechanism of Scenedesmus sp. IITRIND2 under cadmium stress.

Cadmium (Cd) is a non-biodegradable pollutant that has become a global threat due to its bioaccumulation and biomagnification in higher trophic levels of the food chain. Green technologies such as phycoremediation is an emerging approach and possess edge over conventional methods to remediate Cd from the environment. The present investigation elucidates the adaptive mechanism of a freshwater microalga, Scenedesmus sp. IITRIND2 under Cd stress. The microalga showed excellent tolerance to Cd stress with IC50 value of ~32 ppm. The microalga showed phenomenal removal efficiency (~80%) when exposed to 25 ppm of Cd. Such a high uptake of Cd by the cells was accompanied with increased total lipid content (~33% of dry cell weight). Additionally, the elevated level of ROS, lipid peroxidation, glycine-betaine, and antioxidant enzymes evidenced the activation of efficient antioxidant machinery for alleviating the Cd stress. Further, analysis of the fatty acid methyl ester (FAME) presented a steady increase in saturated and polyunsaturated fatty acids with biodiesel properties complying the American and European fuel standards. The study proposes an integrated approach for bioremediation of toxic Cd using hyper-tolerant microalgal strains along with biodiesel production from the generated algal biomass.

Impact of Bacillus licheniformis SV1 Derived Glycolipid on Candida glabrata Biofilm.

In the present investigation, we have evaluated the antibiofilm potential of Bacillus licheniformis SV1 derived glycolipid against C. glabrata biofilm. Impact of isolated glycolipid on the viability of C. glabrata and on inhibiting as well as eradicating ability of its biofilm were studied. Further, morphological alterations, reactive oxygen species generation (ROS) production and transcriptional expression of selected genes (RT-PCR) of C. glabrata in response with isolated glycolipid were studied. The isolated glycolipid (1.0 mg ml-1) inhibited and eradicated C. glabrata biofilm approximately 80% and 60%, respectively. FE-SEM images revealed glycolipid exposure results in architectural alteration and eradication of C. glabrata biofilm and ROS generation. Transcriptional studies of selected genes showed that the expression of AUS1, FKS1 and KRE1 were down-regulated, while that of ergosterol biosynthesis pathway and multidrug transporter increased, in the presence of glycolipid.

Insights into interplay of immunopathophysiological events and molecular mechanistic cascades in psoriasis and its associated comorbidities.

Psoriasis is an inflammatory skin disease with complex pathogenesis and multiple etiological factors. Besides the essential role of autoreactive T cells and constellation of cytokines, the discovery of IL-23/Th17 axis as a central signaling pathway has unraveled the mechanism of accelerated inflammation in psoriasis. This has provided insights into psoriasis pathogenesis and revolutionized the development of effective biological therapies. Moreover, genome-wide association studies have identified several candidate genes and susceptibility loci associated with this disease. Although involvement of cellular innate and adaptive immune responses and dysregulation of immune cells have been implicated in psoriasis initiation and maintenance, there is still a lack of unifying mechanism for understanding the pathogenesis of this disease. Emerging evidence suggests that psoriasis is a high-mortality disease with additional burden of comorbidities, which adversely affects the treatment response and overall quality of life of patients. Furthermore, changing trends of psoriasis-associated comorbidities and shared patterns of genetic susceptibility, risk factors and pathophysiological mechanisms manifest psoriasis as a multifactorial systemic disease. This review highlights the recent progress in understanding the crucial role of different immune cells, proinflammatory cytokines and microRNAs in psoriasis pathogenesis. In addition, we comprehensively discuss the involvement of various complex signaling pathways and their interplay with immune cell markers to comprehend the underlying pathophysiological mechanism, which may lead to exploration of new therapeutic targets and development of novel treatment strategies to reduce the disastrous nature of psoriasis and associated comorbidities.

Cinnamaldehyde incorporated gellan/PVA electrospun nanofibers for eradicating Candida biofilm.

Immunocompromised patients encounter fungal infections more frequently than healthy individuals. Conventional drugs associated health risk and resistance, portrayed fungal infections as a global health problem. This issue needs to be answered immediately by designing a novel anti-fungal therapeutic agent. Phytoactive molecules based therapeutics are most suitable candidate due to their low cytotoxicity and minimal side effects to the host. In this study, cinnamaldehyde (CA), an FDA approved phytoactive molecule present in cinnamon essential oil was incorporated into gellan (GA)/poly vinyl alcohol (PVA) based electrospun nanofibers to resolve the issues like low water solubility, high volatility and irritant effect associated with CA and also to enhance its therapeutic applications. The drug encapsulation, morphology and physical properties of the synthesized CA nanofibers were evaluated by FESEM, AFM, TGA, FTIR and static water contact angle analysis. The average diameters of CA encapsulated GA/PVA nanofibers and GA/PVA nanofibers were recorded to be 278.5 ± 57.8 nm and 204.03 ± 39.14 nm, respectively. These nanofibers were evaluated for their anti-biofilm activity against Candida using XTT (2, 3-bis (2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)-carbonyl]-2H-tetrazolium salt) reduction assay. Data demonstrated that CA encapsulated GA/PVA nanofibers can effectively eradicate 89.29% and 50.45% of Candida glabrata and Candida albicans biofilm respectively. CA encapsulated nanofibers exhibited brilliant antimicrobial property against Staphylococcus aureus and Pseudomonas aeruginosa. The cytotoxicity assay demonstrated that nanofibers loaded with CA have anticancer properties as it reduces cell viability of breast cancer cells (MCF-7) by 27.7%. These CA loaded GA/PVA (CA-GA/PVA) nanofibers could be used as novel wound dressing material and coatings on biomedical implants to eradicate biofilm.

Assessing the robust growth and lipid-accumulating characteristics of Scenedesmus sp. for biodiesel production.

In the present investigation, different salts of nitrogen and carbon sources were tested for their potential to boost biomass and lipid content in Scenedesmus sp. IITRIND2. Among the nitrogen sources, ammonium bicarbonate/nitrate cultures showed maximum dry cell weight (DCW) of ~ 1.8 g/L and lipid yield (~ 40%) while the addition of C6 sugars (glucose and mannose) and sodium acetate enhanced the DCW (~ 3 g/L) and lipid accumulation (~ 40%) compared with disaccharides, C4 and C5 sugars. On evaluating the synergistic effects of the nitrogen and carbon sources, maximum DCW (3.66 g/L) was obtained in ammonium bicarbonate + sodium acetate cultures with a lipid yield of 37.15%. The fatty acid profile of the derived biodiesel was similar to that of plant oils. The results clearly established the robust capability of the novel microalga to efficiently adapt, sustain, and grow in different carbon and nitrogen sources along with high lipid productivity, making it a potential source for biodiesel production.

Small-scale phyco-mitigation of raw urban wastewater integrated with biodiesel production and its utilization for aquaculture.

A low-cost small-scale high-rate algal pond (HRAP) was constructed to investigate the synergistic potential of a novel oleaginous microalga, Chlorella sorokiniana for phyco-mitigation, and biodiesel production using raw urban wastewater. An enhanced nutrient removal (97%), total organic carbon (74%), alkalinity (70%) and hardness (75%) from the wastewater was obtained. The microalga dominated in the HRAP as ~90% increase in the dissolved oxygen with high biomass (1.13 g/L) was noted. The microalga biomass showed sufficient lipid content (~31% of dry cell weight) as compared to control (Bold's Basal media). The total lipid profiling of the microalga cultivated in wastewater showed augmentation in the levels of both storage and neutral lipids with good quality fatty acids composition. Moreover, the sucker fishes grew healthy in the treated wastewater with an increase in body weight.

Exploration of interaction mechanism of tyrosol as a potent anti-inflammatory agent.

Drug discovery for a vigorous and feasible lead candidate is a challenging scientific mission as it requires expertise, experience, and huge investment. Natural products and their derivatives having structural diversity are renowned source of therapeutic agents since many years. Tyrosol (a natural phenylethanoid) has been extracted from olive oil, and its structure was confirmed by elemental analysis, FT-IR, FT-NMR, and single crystal X-ray crystallography. The conformational analysis for tyrosol geometry was performed by Gaussian 09 in terms of density functional theory. Validation of bond lengths and bond angles obtained experimentally as well as theoretically were performed with the help of curve fitting analysis, and values of correlation coefficient (R) obtained as 0.988 and 0.984, respectively. The charge transfer within the tyrosol molecule was confirmed by analysis of HOMO→LUMO molecular orbitals. In molecular docking with COX-2 (PDB ID: 5F1A), tyrosol was found to possess satisfactory binding affinity as compared to other NSAIDs (Aspirin, Ibuprofen, and Naproxen) and a COX-2 selective drug (Celecoxib). ADMET prediction, drug-likeness and bioactivity score altogether confirm the lead/drug like potential of tyrosol. Further investigation of simulation quality plot, RMSD and RMSF plots, ligands behavior plot as well as post simulation analysis manifest the consistency of 5F1A-tyrosol complex throughout the 20 ns molecular simulation process that signifies its compactness and stability within the receptor pocket. AbbreviationsADMETAbsorption, Distribution, Metabolism, Excretion and ToxicityÅAngstromCOX-2Cyclooxygenase-2DFTDensity Functional TheoryDMFDimethylformamideFMOFrontier Molecular OrbitalFT-IRFourier-transform Infrared SpectroscopyFT-NMRNuclear Magnetic Resonance SpectroscopyHOMOHighest Occupied Molecular OrbitalLUMOLowest Unoccupied Molecular OrbitalMDMolecular DynamicsNSNanosecondNSAIDsNon-steroidal anti-inflammatory drugsOPEOsiris Property ExplorerRMSDRoot-Mean-Square DeviationRMSFRoot Sean Square FluctuationCommunicated by Ramaswamy H. Sarma.

Delineating the Biofilm Inhibition Mechanisms of Phenolic and Aldehydic Terpenes against Cryptococcus neoformans.

The recalcitrant biofilm formed by fungus Cryptococcus neoformans is a life-threatening pathogenic condition responsible for further intensifying cryptococcosis. Considering the enhanced biofilm resistance and toxicity of synthetic antifungal drugs, the search for efficient, nontoxic, and cost-effective natural therapeutics has received a major boost. Phenolic (thymol and carvacrol) and aldehydic (citral) terpenes are natural and safe alternatives capable of efficient microbial biofilm inhibition. However, the biofilm inhibition mechanism of these terpenes still remains unclear. In this study, we adopted an integrative biophysical and biochemical approach to elucidate the hierarchy of their action against C. neoformans biofilm cells. The microscopic analysis revealed disruption of the biofilm cell surface with elevation in surface roughness and reduction in cell height. Although all terpenes acted through ergosterol biosynthesis inhibition, the phenolic terpenes also selectively interacted via ergosterol binding. Further, the alterations in the fatty acid profile in response to terpenes attenuated the cell membrane fluidity with enhanced permeability, resulting in pore formation and efflux of the K+/intracellular content. Additionally, mitochondrial depolarization caused higher levels of reactive oxygen species, which led to increased lipid peroxidation and activation of the antioxidant defense system. Indeed, the oxidative stress caused a significant decline in the amount of extracellular polymeric matrix and capsule sugars (mannose, xylose, and glucuronic acid), leading to a reduced capsule size and an overall negative charge on the cell surface. This comprehensive data revealed the mechanistic insights into the mode of action of terpenes on biofilm inhibition, which could be exploited for formulating novel anti-biofilm agents.

Insight into Structure-Function Relationships of ß-Lactamase and BLIPs Interface Plasticity using Protein-Protein Interactions.

BACKGROUND: Mostly BLIPs are identified in soil bacteria Streptomyces and originally isolated from Streptomyces clavuligerus and can be utilized as a model system for biophysical, structural, mutagenic and computational studies. BLIP possess homology with two proteins viz., BLIP-I (Streptomyces exofoliatus) and BLP (beta-lactamase inhibitory protein like protein from S. clavuligerus). BLIP consists of 165 amino acid, possessing two homologues domains comprising helix-loop-helix motif packed against four stranded beta-sheet resulting into solvent exposed concave surface with extended four stranded beta-sheet. BLIP-I is a 157 amino acid long protein obtained from S. exofoliatus having 37% sequence identity to BLIP and inhibits beta-lactamase. METHODS: This review is intended to briefly illustrate the beta-lactamase inhibitory activity of BLIP via proteinprotein interaction and aims to open up a new avenue to combat antimicrobial resistance using peptide based inhibition. RESULTS: D49A mutation in BLIP-I results in a decrease in affinity for TEM-1 from 0.5 nM to 10 nM (Ki). It is capable of inhibiting TEM-1 and bactopenemase and differs from BLIP only in modulating cell wall synthesis enzyme. Whereas, BLP is a 154 amino acid long protein isolated from S. clavuligerus via DNA sequencing analysis of Cephamycin-Clavulanate gene bunch. It shares 32% sequence similarity with BLIP and 42% with BLIP-I. Its biological function is unclear and lacks beta-lactamase inhibitory activity. CONCLUSION: Protein-protein interactions mediate a significant role in regulation and modulation of cellular developments and processes. Specific biological markers and geometric characteristics are manifested by active site binding clefts of protein surfaces which determines the specificity and affinity for their targets. TEM1.BLIP is a classical model to study protein-protein interaction. ß-Lactamase inhibitory proteins (BLIPs) interacts and inhibits various ß-lactamases with extensive range of affinities.

Utilization of Clarified Butter Sediment Waste as a Feedstock for Cost-Effective Production of Biodiesel.

The rising demand and cost of fossil fuels (diesel and gasoline), together with the need for sustainable, alternative, and renewable energy sources have increased the interest for biomass-based fuels such as biodiesel. Among renewable sources of biofuels, biodiesel is particularly attractive as it can be used in conventional diesel engines without any modification. Oleaginous yeasts are excellent oil producers that can grow easily on various types of hydrophilic and hydrophobic waste streams that are used as feedstock for single cell oils and subsequently biodiesel production. In this study, cultivation of Rhodosporidium kratochvilovae on a hydrophobic waste (clarified butter sediment waste medium (CBM)) resulted in considerably high lipid accumulation (70.74% w/w). Maximum cell dry weight and total lipid production were 15.52 g/L and 10.98 g/L, respectively, following cultivation in CBM for 144 h. Neutral lipids were found to accumulate in the lipid bodies of cells, as visualized by BODIPY staining and fluorescence microscopy. Cells grown in CBM showed large and dispersed lipid droplets in the intracellular compartment. The fatty acid profile of biodiesel obtained after transesterification was analyzed by gas chromatography-mass spectrometry (GC-MS), while its quality was determined to comply with ASTM 6751 and EN 14214 international standards. Hence, clarified sediment waste can be exploited as a cost-effective renewable feedstock for biodiesel production.

Production of Oleaginous Organisms or Lipids Using Sewage Water and Industrial Wastewater.

Worldwide, wastewater produced from sewage and industry poses a serious risk to the surrounding environment. As a way to address this problem, an integrated approach for cultivation of oleaginous microorganisms on wastewater leading to effective removal of hazardous components and sustainable production of biodiesel is proposed. Oleaginous yeasts have the unique ability to utilize wastewater as feedstock and accumulate large amounts of triacylglycerols within their cellular compartments at stationary phase (144 h). The lipids stored in an oleaginous microbe can be visualized by fluorescence microscopy and converted into biodiesel through transesterification after extraction. Here, we describe the batch cultivation of oleaginous yeast on sewage and industrial wastewater at 25 °C. High lipid accumulation with efficient removal of toxic chemicals can be achieved by utilizing this integrated method.

A novel approach using low-cost Citrus limetta waste for mixotrophic cultivation of oleaginous microalgae to augment automotive quality biodiesel production.

The present study reports the use of Citrus limetta (CL) residue for cultivating Chlorella sp. mixotrophically to augment production of biodiesel. The cultivation of Chlorella sp. using CL as media was carried out by employing a fed-batch technique in open tray (open tray+CL) and in software (BioXpert V2)-attached automated photobioreactor (PBR+CL) systems. Data showed the limit of nitrogen substituent and satisfactory organic source of carbon (OSC) in CL, causing > 2-fold higher lipid content in cells, cultivated in both the systems than in control. For the cells grown in both the systems, ≥ 3-fold enhancement in lipid productivity was observed than in control. The total fatty acid methyl ester (FAME) concentrations from lipids extracted from cells grew in PBR+CL and in open tray+CL techniques were calculated as 50.59% and 38.31%, respectively. The PBR+CL system showed improved outcomes for lipid content, lipid and biomass productivity, FAME characteristics and physical property parameters of biodiesel than those obtained from the open tray+CL system. The physical property parameters of biodiesel produced from algal cells grown in PBR+CL were comparable to existing fuel standards. The results have shown lower cold filter plugging point (- 6.57 °C), higher cetane number (58.04) and average oxidative stability (3.60 h). Collectively, this investigation unveils the novel deployment of CL as a cost-effective feedstock for commercialisation of biodiesel production.

Co-culturing of oleaginous microalgae and yeast: paradigm shift towards enhanced lipid productivity.

Oleaginous microalgae and yeast are the two major propitious factories which are sustainable sources for biodiesel production, as they can accumulate high quantities of lipids inside their bodies. To date, various microalgal and yeast species have been exploited singly for biodiesel production. However, despite the ongoing efforts, their low lipid productivity and the high cost of cultivation are still the major bottlenecks hindering their large-scale deployment. Co-culturing of microalgae and yeast has the potential to increase the overall lipid productivity by minimizing its production cost as both these organisms can utilize each other's by-products. Microalgae act as an O2 generator for yeast while consuming the CO2 and organic acids released by the yeast cells. Further, yeast can break complex sugars in the medium, which can then be utilized by microalgae thereby opening new options for copious and low-cost feedstocks such as agricultural residues. The current review provides a historical and technical overview of the existing studies on co-culturing of yeast and microalgae and elucidates the crucial factors that affect the symbiotic relationship between these two organisms. Furthermore, the review also highlighted the advantages and the future perspectives for paving a path towards a sustainable biodiesel product.

Detoxification mechanism of organophosphorus pesticide via carboxylestrase pathway that triggers de novo TAG biosynthesis in oleaginous microalgae.

Organophosphorus compounds exhibit a wide range of toxicity to mammals. In this study the effect of malathion on the growth and biochemical parameters of microalgae was evaluated. Three microalgae (Micractinium pusillum UUIND2, Chlorella singulari UUIND5 and Chlorella sorokiniana UUIND6) were used in this study. Among the three algal strains tested, Chlorella sorokiniana UUIND6 was able to tolerate 100 ppm of malathion. The photosynthetic pigments, the protein, carbohydrate and lipid contents of microalgal cells were also analyzed. About 90% degradation was recorded in 25 ppm, 50 ppm and 70% was recorded in 100 ppm of malathion by Chlorella sorokiniana. A mechanism of degradation of malathion by Chlorella sorokiniana is proposed in this study. Activity of carboxylesterase was increased in algal cells cultivated in malathion containing medium which confirmed that malathion degraded into phosphate. Increased amount of Malondialdehye (MDA) indicate the development of free radicals under the stress of malathion which substantialy increase de novo TAG biosynthesis, while increased level of superoxide dismutase (SOD), ascorbate peroxidase (APX) and catalase (CAT) suggested their association in scavenging of free radical.

Delineating the molecular responses of a halotolerant microalga using integrated omics approach to identify genetic engineering targets for enhanced TAG production.

BACKGROUND: Harnessing the halotolerant characteristics of microalgae provides a viable alternative for sustainable biomass and triacylglyceride (TAG) production. Scenedesmus sp. IITRIND2 is a fast growing fresh water microalga that has the capability to thrive in high saline environments. To understand the microalga's adaptability, we studied its physiological and metabolic flexibility by studying differential protein, metabolite and lipid expression profiles using metabolomics, proteomics, real-time polymerase chain reaction, and lipidomics under high salinity conditions. RESULTS: On exposure to salinity, the microalga rewired its cellular reserves and ultrastructure, restricted the ions channels, and modulated its surface potential along with secretion of extrapolysaccharide to maintain homeostasis and resolve the cellular damage. The algal-omics studies suggested a well-organized salinity-driven metabolic adjustment by the microalga starting from increasing the negatively charged lipids, up regulation of proline and sugars accumulation, followed by direction of carbon and energy flux towards TAG synthesis. Furthermore, the omics studies indicated both de-novo and lipid cycling pathways at work for increasing the overall TAG accumulation inside the microalgal cells. CONCLUSION: The salt response observed here is unique and is different from the well-known halotolerant microalga; Dunaliella salina, implying diversity in algal response with species. Based on the integrated algal-omics studies, four potential genetic targets belonging to two different metabolic pathways (salt tolerance and lipid production) were identified, which can be further tested in non-halotolerant algal strains.

Microwave assisted κ-carrageenan capped silver nanocomposites for eradication of bacterial biofilms.

Maturation of bacterial biofilms and their resistance to recurrent antimicrobial agents results in convoluted infectious diseases. In the current study, kappa-Carrageenan (κ-Carrageenan/CRG), was used to formulate CRG-silver nanocomposites through a facile microwave green synthesis approach. CRG-Ag nanoparticles of size 50 ± 10 nm were obtained by using CRG as a reducing and stabilizing agent. CRG-Ag nanoparticles were highly effective against both S. aureus and P. aeruginosa mediated biofilms and acted as a broad spectrum antibacterial agent even after six months. CRG-Ag nanoparticles encapsulated in KCl cross-linked hydrogel also exhibited excellent thermal stability, and antimicrobial potency. All these results depict that CRG-Ag nanocomposites appear as a promising approach to eradicate bacterial biofilms in food packaging and biomedical applications.

Structure-based drug designing and identification of Woodfordia fruticosa inhibitors targeted against heat shock protein (HSP70-1) as suppressor for Imiquimod-induced psoriasis like skin inflammation in mice model.

Heat shock proteins (HSPs) emerged as a therapeutic target and it was observed that inhibition of HSP70-1 plays a pivotal role in the management of psoriasis. In-silico investigation involving techniques like molecular docking and molecular dynamics (MD) simulation analysis was performed against HSP70-1. Further, anti-psoriatic activity of bioactive immunomodulatory compounds present in ethanolic extract of Woodfordia fruticosa flowers (Wffe) using combination of bioinformatics together with ethnopharmacological approach has been explored in this study. Myricetin (-8.024), Quercetin (-7.368) and Ellagic acid (-7.311) were the top three compounds with minimum energy levels as well as high therapeutic value/ADMET as compared to currently available marketed anti-psoriatic drug Tretinoin (-7.195). ADMET prediction was used to screen ligands for drug-likeness and efficacy. Further, biogenically Woodfordia fruticosa gold nanoparticles (WfAuNPs) were synthesized and characterized by UV-Visible Spectroscopy (UV-vis), Dynamic Light Scattering (DLS), Zeta Potential, X-Ray Diffraction (XRD) and High Resolution Transmission Electron Microscopy (HRTEM) techniques. Synthesized WfAuNPs observed in the size range of 10-20 nm and were used to develop WfAuNPs-Carbopol®934 ointment gel. Subsequently, the therapeutic efficacy of WfAuNPs-Carbopol® 934 was checked against 5% Imiquimod-induced psoriasis like skin inflammation. WfAuNPs-Carbopol® 934 was found to be exerting better therapeutic effect in reducing the mean DAI score (0.63 ±â€¯0.08), serum cytokines (TNF-α, IL-22 and IL-23) levels along with reduced epidermal thickness, parakeratosis and marked decrease in the hyperproliferation of keratinocytes. Results of the study revealed that the WfAuNPs-Carbopol® 934 could be an effective alternative treatment for psoriasis in near future.

Extrapolation of phenolic compounds as multi-target agents against cancer and inflammation.

Natural products acquire massive structural and chemical diversity, which cannot be coordinated by any synthetic libraries for small molecules and they are continuing to inspire novel discoveries in health sciences. We have performed the computational calculations for geometry optimization and prediction of electronic and structural properties of some plant phenolic compounds through Gaussian 09 program. Energies of molecular orbitals were computed, to mimic out the stabilities arising from charge delocalization and intramolecular interactions. This process indicated the eventual charge transfer within the molecules. The molecular docking and ADMET properties of these compounds with a novel anticancer (HER2) and anti-inflammatory (COX-2) targets revealed that two molecules were capable of inhibiting both the targets, and could be used as multi target inhibitors. Furthermore, molecular dynamics simulation studies were performed to elucidate the binding mechanism and the comparison of inhibitor's binding mode with diverse biological activities as anticancer and anti-inflammatory agents. A high-quality association was reported among quantum chemical, ADMET, docking, dynamics and MMGBSA results. Communicated By Ramaswamy H. Sarma.