testosterone/progesterone (ARG103) / arGentis - LARVOL DELTA

Structure and Membrane Interactions of Two Helices from Mycobacterium tuberculosis FtsL, One Transmembrane and One Amphipathic. (PubMed, J Am Chem Soc) - "The free-energy surface featured a major bound minimum, with the side chains of Leu104, Leu107, and Ile111 projecting into the hydrophobic core of the membrane and those of Arg103, Arg107, and Arg114 projecting sideways to interact with lipid headgroups...The final structure of FtsL101-146 was refined by restrained molecular dynamics simulations in a POPC/POPG bilayer and further validated by 13C-13C correlation magic-angle-spinning NMR. Together, these results demonstrate that the amphipathic helix of FtsL functions as a membrane-interacting element that stabilizes the protein in the membrane environment and mediates the recruitment of downstream proteins to the divisome for Mtb cell division."

Journal • Infectious Disease • Pulmonary Disease • Respiratory Diseases • Tuberculosis

Whole-exome sequencing identifies rare genetic variants in Egyptian patients with hypertrophic cardiomyopathy: a pilot study. (PubMed, Cardiol Young) - "As the first genetic study of hypertrophic cardiomyopathy in an Egyptian population, this work expands the global mutational spectrum, demonstrates the utility of genetic testing for risk stratification and personalised management, and underscores the need to diversify genomic datasets for equitable precision medicine."

Journal • Atrial Fibrillation • Cardiomyopathy • Cardiovascular • Hypertrophic Cardiomyopathy • Ventricular Tachycardia • KLHL24 • MYH7

Functional roles for FEN1 phosphate steering residues in multi-step substrate verification prior to reaction. (PubMed, J Biol Chem) - "We investigated functional roles for these residues using kinetic and spectroscopic methods, finding that alanine substitutions of Arg103, Arg104, Arg129 and Lys132 modestly reduce the catalytic rate and the stability of 5'-flap threading...Helicity-disrupting mutations in α4/α5, designed to impair ordering, reduced the catalytic rate and severely inhibited allosteric signalling of 3'-flap recognition to the active site. These findings define critical functional roles for phosphate steering residues in the FEN1 mechanism, and inform a deeper understanding of how coordinated substrate verification optimises targeting specificity to preserve genome integrity."

Journal • FEN1

Interaction of rice proteins with flavor compounds: multi-spectroscopic insights and multimodal binding analysis. (PubMed, Food Chem) - "Molecular docking suggested hydrogen bonding and hydrophobic interactions as the major contributors, with residues ARG103, THR155, ARG52, and LYS143 in albumin, globulin, prolamin, and glutelin, respectively, contributing to binding specificity. Regression analysis quantified the contributions of storage proteins, highlighting glutelin as the dominant contributor (65.9%). Overall, this study clarifies protein-flavor interaction mechanisms and their heat-induced changes, offering insights for improving rice flavor quality."

Journal

The heat shock transcription factor regulates the expression of crustin in Portunus trituberculatus. (PubMed, Fish Shellfish Immunol) - "Furthermore, molecular docking simulations reveal that three amino acids (His66, Arg103, and Lys104) in the DBD of PtHSF binds to the promoter sequence of Ptcrustin1 via noncovalent interactions, such as hydrogen bonds and Van der Waals forces. This study enriches the understanding of the regulatory mechanisms underlying antimicrobial peptide expression in crustaceans and provides novel perspectives for disease control in P. trituberculatus aquaculture."

Journal • ADAM17

In Silico Identification of Novel Compounds as Anthelmintics Against Haemonchus contortus Through Inhibiting β-Tubulin Isotype 1 and Glutathione S-Transferase. (PubMed, Animals (Basel)) - "Similarly, in GST, Leu99, Asn100, Arg103, Lys107, Glu162, and Met163 were the most common interacting residues...The in silico studies identified potent compounds by targeting GST and β-tubulin isotype 1 against Haemonchus contortus. The reported findings provide a foundation for the development of novel anthelmintic therapies."

Journal

A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. (PubMed, Proc Natl Acad Sci U S A) - "Positioning of the positively charged Arg103 side chain in the second coordination shell yields an overall charge-neutral Fe(III) binding state in structures determined by neutron diffraction and serial femtosecond crystallography...Dose series using serial synchrotron crystallography and an XFEL X-ray pump-probe approach capture the transition between Fe(III) and Fe(II) states, revealing how Arg203 operates as a switch to accommodate the different iron oxidation states. This switching ability of the Prochlorococcus FutA protein may reflect ecological adaptation by genome streamlining and loss of specialized FutA proteins."

Journal

Generating Monoclonal Antibodies against Buprofezin and Developing Immunoassays for Its Residue Detection in Tea Samples. (PubMed, J Agric Food Chem) - "The study identified π-π stacking interactions between hapten and TYR-61 at the mAb-19F2 site and alkyl/phosphate interactions with TRP-105 and ARG-103...The recovery rate of tea spiked recovered samples was 83.6%-92.2%, with an RSD of 5.3%-12.6%, and the results were consistent with the LC/MS method. This study is important for the real-time detection of buprofezin residues to ensure food safety and human health."

Journal

Lipid peroxidation-derived modification and its effect on the activity of glutathione peroxidase 1. (PubMed, Free Radic Biol Med) - "The GSH-binding sites modified were as follows: ONE, Arg57, 103, 184, and 185; HNE, Lys91; MG, Arg103...However, the activity of GPx1 was not restored to the initial level, indicating that ONE modified GPx1 irreversibly. This study suggests that oxidative damage to lipids, resulting in the formation of reactive aldehydes, can amplify cellular oxidative stress via direct inactivation of GPx1, which increases the production of intracellular peroxides."

Journal • CNS Disorders • Oncology • GPX1

Binding Mechanism of CD47 with SIRPα Variants and Its Antibody: Elucidated by Molecular Dynamics Simulations. (PubMed, Molecules) - "Significant effects were observed in the energy and structural analyses of the residues (Glu35, Tyr37, Leu101, Thr102, Arg103) in the C strand and FG region of CD47 when it binds to the SIRPα variants. For B6H12.2, the residues Tyr32, His92, Arg96, Tyr32, Thr52, Ser53, Ala101, and Gly102 in its initial half of the light and heavy chains exhibit obvious energetic and structural impacts upon binding with CD47. The elucidation of the binding mechanism of SIRPαv1, SIRPαv2, and B6H12.2 with CD47 could provide novel perspectives for the development of inhibitors targeting CD47-SIRPα."

Journal • Oncology • SIRPA

A Low-Activity Polymorphic Variant of Human NEIL2 DNA Glycosylase. (PubMed, Int J Mol Sci) - "Arg103 is located in a long disordered segment within the N-terminal domain of hNEIL2, while Pro304 occupies a position in the β-turn of the DNA-binding zinc finger motif. The P304T variant was also less proficient than the wild-type, or R103W hNEIL2, in the removal of damaged bases from single-stranded and bubble-containing DNA. Overall, hNEIL2 P304T could be worthy of a detailed epidemiological analysis as a possible cancer risk modifier."

Journal • Oncology

Neurologic Phenotypes Associated With Mutations in RTN4IP1 (OPA10) in Children and Young Adults. (PubMed, JAMA Neurol) - "In these patients, novel and very rare homozygous and compound heterozygous mutations were identified that led to the absence of the protein and complex I disassembly as well as mild mitochondrial network fragmentation. A broad clinical spectrum of neurologic features, ranging from isolated optic atrophy to severe early-onset encephalopathies, is associated with RTN4IP1 biallelic mutations and should prompt RTN4IP1 screening in both syndromic neurologic presentations and nonsyndromic recessive optic neuropathies."

Journal

Identification of Anti-filarial leads against Aspartate semialdehyde Dehydrogenase of Wolbachia endosymbiont of Brugia malayi: Combined Molecular Docking and Molecular Dynamics Approaches. (PubMed, J Biomol Struct Dyn) - "...The molecular docking and dynamics results revealed that the amino acid residues Arg103, Asn133, Cys134, Gln161, Ser164, Lys218, Arg239, His246, and Asn321 plays a crucial role in effective binding of Top leads into the active site of ASDase...Furthermore, density functional theory and binding free energy calculations were performed to rank the lead molecules. Thus, the identified lead molecules can be used for the development of anti-filarial agents to combat the pathogenecity of Brugia malayi."

Journal