Publications by authors named "Phuong Tran-Nguyen"

Article Synopsis
  • Structure-based virtual screening is essential in early drug discovery, relying on accurate predictions of how compounds bind to targets.
  • The new method, RosettaVS, improves prediction accuracy by incorporating receptor flexibility and outperforms existing approaches, resulting in successful hits in screening multi-billion compound libraries.
  • Using this platform, the study identified multiple promising compounds for two different protein targets, with validation achieved through high-resolution X-ray crystallography, confirming the method’s effectiveness in finding new drug leads.
View Article and Find Full Text PDF

Cost-effective CO adsorbents are gaining increasing attention as viable solutions for mitigating climate change. In this study, composites were synthesized by electrochemically combining the post-gasification residue of Macadamia nut shell with copper benzene-1,3,5-tricarboxylate (CuBTC). Among the different composites synthesized, the ratio of 1:1 between biochar and CuBTC (B 1:1) demonstrated the highest CO adsorption capacity.

View Article and Find Full Text PDF

Ion channels play key roles in human physiology and are important targets in drug discovery. The atomic-scale structures of ion channels provide invaluable insights into a fundamental understanding of the molecular mechanisms of channel gating and modulation. Recent breakthroughs in deep learning-based computational methods, such as AlphaFold, RoseTTAFold, and ESMFold have transformed research in protein structure prediction and design.

View Article and Find Full Text PDF

The COVID-19 outbreak has had serious impact on remote education and service-learning implementation in Taiwan. To alleviate these impacts, the Digital Learning Companion, an online tutoring project, was proposed to bridge the digital divide and learning gap among remote children, while offering university students an online service-learning environment. This project recruited international students as tutors for local children.

View Article and Find Full Text PDF

Capsaicin receptor TRPV1 is a nociceptor for vanilloid molecules such as capsaicin and resiniferatoxin (RTX). Even though cryo-EM structures of TRPV1 in complex with these molecules are available, how their binding energetically favors the open conformation is not known. Here we report an approach to control the number of bound RTX molecules (0-to-4) in functional mouse TRPV1.

View Article and Find Full Text PDF

The development of environmentally friendly adsorbents has been extensively carried out to overcome the detrimental effects of heavy metal accumulation, which has persistently become a global ecological problem. In pursuit of generating eco-friendly adsorbents, a green method for synthesizing thiamine functionalized-FeO (FT) was developed in this study. A one-step chemical oxidation and functionalization technique was used to prepare FT using the ammonia-containing solvent.

View Article and Find Full Text PDF

The development of porous adsorbent materials from renewable resources for water and wastewater treatment has received considerable interest from academia and industry. This work aims to synthesize composite hydrogel from the combination of guar gum (a neutral galactomannan polysaccharide) and TiO. The TiO-embedded guar gum hydrogel (TiO@GGH) was utilized to remove methylene blue through adsorption and photodegradation.

View Article and Find Full Text PDF

Silicone hydrogel lenses were prepared by copolymerizing PDMS-PEGMA macromer (PGP) with various combinations of DMA, NVP, and PEGMA through UV initiated polymerization process. The resultant PGP macromer were characterized by gel permeation chromatography (GPC), and scanning electron microscope (SEM-EDS). Characterization of all the resultant co-polymers included Fourier transform infrared spectroscopy (FTIR), atomic force microscopy (AFM), equilibrium water content (EWC), oxygen permeability (Dk), optical transparency, contact angle, mechanical properties, zeta potential, protein deposition, and cytotoxicity.

View Article and Find Full Text PDF

Nitrogen-grafting through the addition of glycine (Gly) was performed on a metal- phenolic network (MPN) of copper (Cu) and gallic acid (GA) to increase its adsorption capacity. Herein, we reported a one-step synthesis method of MPN, which was developed according to the metal-ligand complexation principle. The nitrogen grafted CuGA (N-CuGA) MPN was obtained by reacting Cu, GA, and Gly in an aqueous solution at a molar ratio of 1:1:1 and a pH of 8.

View Article and Find Full Text PDF

A greener route to synthesize mesoporous copper-gallic acid metal-organic framework (CuGA MOF) than the conventional method using harmful DMF solvent was proposed in this study. Various synthesis attempts were conducted by modifying the synthesis conditions to produce CuGA MOF with comparable physical properties to a reference material (DMF-synthesized CuGA NMOF). The independent variables investigated include the molar ratio of NaOH to GA (1.

View Article and Find Full Text PDF

Voltage-gated sodium channels (Nas) are activated by transiting the voltage sensor from the deactivated to the activated state. The crystal structures of several bacterial Nas have captured the voltage sensor module (VSM) in an activated state, but structure of the deactivated voltage sensor remains elusive. In this study, we sought to identify peptide toxins stabilizing the deactivated VSM of bacterial Nas.

View Article and Find Full Text PDF

Solution equilibrium of divalent metal ions (M=Mn, Co, Ni, Cu and Zn) with caffeic acid (ligand C) or dihydrocaffeic acid (ligand D) in binary system, and with acetylcysteine (ligand N) in ternary system were investigated at condition similar to human physiological temperature of 310.15 K and ionic strength of 0.15 mol·dm NaCl.

View Article and Find Full Text PDF

Most previous studies reported in literature on biodiesel production from sludge were performed by acid catalyzed transesterification that required long reaction time (about 24h) and high methanol loading. The objective of this study was to investigate the in situ transesterification of sludge in subcritical mixture of methanol and acetic acid. At 250°C and a solvent (85% methanol and 15% acetic acid) to sludge ratio of 5 (mLg(-1)), a FAME yield of 30.

View Article and Find Full Text PDF

Limnophila aromatica is commonly used as a spice and a medicinal herb in Southeast Asia. In this study, water and various concentrations (50%, 75%, and 100%) of methanol, ethanol, and acetone in water were used as solvent in the extraction of L. aromatica.

View Article and Find Full Text PDF

The effects of subcritical water (SCW) and dilute acid pretreatments on the shedding bark of Melaleuca leucadendron (paper bark tree, PBT) biomass morphology, crystallinity index (CrI) and enzymatic saccharification were studied. The morphology of PBT bark was characterized by X-ray diffraction, scanning electron microscopy and Fourier transform infrared spectroscopy. SCW pretreatment mainly extracted amorphous parts of the biomass hence its CrI increased, partial decrystallization of cellulose and exposing of intact nanofibers of cellulose were observed for SCW pretreatment at 180°C.

View Article and Find Full Text PDF

Wet activated sludge was converted directly into biodiesel using water as hydrolysis reagent to enhance the extraction of lipid in activated sludge, and as catalyst for the conversion of neutral lipids into biodiesel under subcritical conditions. At 175°C, 3.5MPa, a methanol to sludge ratio of 30 (mL/g) and a sludge water content of 84wt.

View Article and Find Full Text PDF