Molecular Docking and Dynamics Simulation Revealed the Potential Inhibitory Activity of ACEIs Against SARS-CoV-2 Targeting the h ACE2 Receptor
The rapid and global spread of a new human coronavirus, Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) has produced an immediate urgency to discover promising targets for the treatment of COVID-19.
Here, we consider drug repurposing as an attractive approach that can facilitate the drug discovery process by repurposing existing pharmaceuticals to treat illnesses other than their primary indications. We review current information concerning the global health issue of COVID-19 including promising approved drugs, e.g., human angiotensin-converting enzyme inhibitors (hACEIs).
Besides, we describe computational approaches to be used in drug repurposing and highlight examples of in-silico studies of drug development efforts against SARS-CoV-2. Alacepril and lisinopril were found to interact with human angiotensin-converting enzyme 2 (hACE2), the host entranceway for SARS-CoV-2 spike protein, through exhibiting the most acceptable rmsd_refine values and the best binding affinity through forming a strong hydrogen bond with Asn90, which is assumed to be essential for the activity, as well as significant extra interactions with other receptor-binding residues.
Furthermore, molecular dynamics (MD) simulations followed by calculation of the binding free energy were also carried out for the most promising two ligand-pocket complexes from docking studies (alacepril and lisinopril) to clarify some information on their thermodynamic and dynamic properties and confirm the docking results as well.
These results we obtained probably provided an excellent lead candidate for the development of therapeutic drugs against COVID-19. Eventually, animal experiments and accurate clinical trials are needed to confirm the potential preventive and treatment effect of these compounds.
Revision and phylogeny of the genus Loxoneptera Hampson, 1896 (Lepidoptera, Crambidae, Pyraustinae), based on morphology and molecular data
The genus Loxoneptera Hampson, 1896 is revised based on external appearance and genitalia. It is comprised of eleven species, of which three are described as new species from China: L. crassiuncata Chen & Zhang, sp. nov., L. triangularis Chen & Zhang, sp. nov., and L. rectacerosa Chen & Zhang, sp. nov.; six species are proposed as new combinations: L. carnealis (Swinhoe, 1895), comb. nov., L. medialis (Caradja, 1925), comb. nov., L. pentasaris (Meyrick, 1932), comb. nov., L. bipunctalis (Hampson, 1912), comb. nov., L. brevipalpis (Snellen, 1890), comb. nov., and L. dichroma (Moore, 1888), comb. nov. A new replacement name, L. hampsoni Chen & Zhang, nom. nov., is proposed for L. carnealis Hampson, 1896, the type species of the genus, because it is a secondary homonym of L. carnealis (Swinhoe, 1895), comb. nov. External characters and genitalia morphology of all species are figured. Nucleotide sequences of COI, 16S rRNA, 28S rRNA, and EF-1α were used for the molecular analysis and phylogeny of Loxoneptera species.
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Ultra-high Magnification Endocytoscopy and Molecular Markers for Defining Endoscopic and Histologic Remission in Ulcerative Colitis-An Exploratory Study to Define Deep Remission
Background: Endoscopic and histological remission are both important treatment goals in patients with ulcerative colitis (UC). We aimed to define cellular architecture, expression of molecular markers, and their correlation with endoscopic scores assessed by ultra-high magnification endocytoscopy (ECS) and histological scores.
Methods: Patients with UC (n = 29) were prospectively recruited. The correlation among ECS score (ECSS), Mayo endoscopic score (MES), and histological scores were determined. Area under curve were plotted to determine the best thresholds for ECSS that predicted histological remission by Robarts (RHI) and Nancy Histological Index (NHI).
Soluble analytes relevant to inflammation were measured in serum and mucosal culture supernatants using ProcartaPlex Luminex assays and studied by partial least square discriminant analysis and logistic model. Mucosal RNA sequencing and bioinformatics analysis were performed to define differentially expressed genes/pathways.
Results: Endocytoscope scoring system correlated strongly with RHI (r = 0.89; 95% CI, 0.51-0.98) and NHI (r = 0.86; 95% CI, 0.42-0.98) but correlated poorly with MES (r = 0.28; 95% CI, 0.27-0.70). We identified soluble brain-derived neurotrophic factors (BDNF), macrophage inflammatory proteins (MIP-1 α), and soluble vascular cell adhesion molecule 1 (sVCAM-1) predicted histological remission.
Mucosal biopsy cultures also identified sVCAM-1 associated with healed mucosa. RNA-seq analysis identified gene expressions shared between ECSS, RHI, or NHI defined healing. A number of gene expressions and pathways were identified including inflammation and metabolic and tumor suppressors that discriminated healed from nonhealed mucosa.
Conclusions: Endocytoscopy represents an interesting tool that may sit between endoscopy and histology-but closer to the latter-identifying gene expression markers and pathways that are also identified by histology.
Description: A Rabbit Polyclonal antibody against PDGFR-? from Human/Mouse/Rat. This antibody is tested and validated for WB, ELISA, IHC, IF, WB, ELISA
Description: A Rabbit Polyclonal antibody against PDGFR-? from Human/Mouse/Rat. This antibody is tested and validated for WB, ELISA, IHC, IF, WB, ELISA
Description: A Rabbit Polyclonal antibody against PDGFR-? from Human/Mouse/Rat. This antibody is tested and validated for WB, ELISA, IHC, IF, WB, ELISA
Description: A Rabbit Polyclonal antibody against PDGFR-? from Human/Mouse/Rat. This antibody is tested and validated for WB, ELISA, IHC, IF, WB, ELISA
Description: A Rabbit Polyclonal antibody against PDGFR-? from Human/Mouse/Rat. This antibody is tested and validated for WB, ELISA, IHC, IF, WB, ELISA
Description: A Rabbit Polyclonal antibody against PDGFR-? from Human/Mouse/Rat. This antibody is tested and validated for WB, ELISA, IHC, IF, WB, ELISA
Description: A Rabbit Polyclonal antibody against PDGFR-? from Human/Mouse/Rat. This antibody is tested and validated for WB, ELISA, IHC, IF, WB, ELISA
Description: A Rabbit Polyclonal antibody against PDGFR-? from Human/Mouse/Rat. This antibody is tested and validated for WB, ELISA, IHC, IF, WB, ELISA
Description: A Monoclonal antibody against Human PDGFRB / PDGFR Beta (clone 42G12). The antibodies are raised in Mouse and are from clone 42G12. This antibody is applicable in WB and IHC-P
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for IHC-P, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y754
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for IHC-P, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y754
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for IHC-P, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y754
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y849
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y849
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y849
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y1018
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y1018
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y1018
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y762
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y762
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y762
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Mouse, Rat. This PDGFR-Beta antibody is for IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y1009
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Mouse, Rat. This PDGFR-Beta antibody is for IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y1009
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Mouse, Rat. This PDGFR-Beta antibody is for IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y1009
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Mouse, Rat. This PDGFR-Beta antibody is for WB, IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y1021
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Mouse, Rat. This PDGFR-Beta antibody is for WB, IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y1021
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Mouse, Rat. This PDGFR-Beta antibody is for WB, IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y1021
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Mouse, Rat. This PDGFR-Beta antibody is for WB, IHC-P, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y740
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Mouse, Rat. This PDGFR-Beta antibody is for WB, IHC-P, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y740
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Mouse, Rat. This PDGFR-Beta antibody is for WB, IHC-P, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y740
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from the C-terminal region of human PDGFR-? at AA range: 1010-1090
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from the C-terminal region of human PDGFR-? at AA range: 1010-1090
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from the C-terminal region of human PDGFR-? at AA range: 1010-1090
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Mouse, Rat. This PDGFR-Beta antibody is for WB, IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y751
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Mouse, Rat. This PDGFR-Beta antibody is for WB, IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y751
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Mouse, Rat. This PDGFR-Beta antibody is for WB, IHC-P, IF, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y751
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Rat. This PDGFR-Beta antibody is for WB, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y771
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Rat. This PDGFR-Beta antibody is for WB, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y771
Description: A polyclonal antibody for detection of PDGFR-Beta from Human, Rat. This PDGFR-Beta antibody is for WB, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from human PDGFR-? around the non-phosphorylation site of Y771
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, IHC-P, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from the Internal region of human PDGFR-?
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, IHC-P, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from the Internal region of human PDGFR-?
Description: A polyclonal antibody for detection of PDGFR-Alpha from Human, Mouse, Rat. This PDGFR-Alpha antibody is for WB, IHC-P, ELISA. It is affinity-purified from rabbit antiserum by affinity-chromatography using epitope-specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from the Internal region of human PDGFR-?
Description: A polyclonal antibody for detection of PDGFR Alpha from Human, Mouse, Rat. This PDGFR Alpha antibody is for WB, ELISA. It is affinity-purified from rabbit serum by affinity-chromatography using the specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from part region of human PDGFR ? protein
Description: A polyclonal antibody for detection of PDGFR Alpha from Human, Mouse, Rat. This PDGFR Alpha antibody is for WB, ELISA. It is affinity-purified from rabbit serum by affinity-chromatography using the specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from part region of human PDGFR ? protein
Description: A polyclonal antibody for detection of PDGFR Alpha from Human, Mouse, Rat. This PDGFR Alpha antibody is for WB, ELISA. It is affinity-purified from rabbit serum by affinity-chromatography using the specific immunogenand is unconjugated. The antibody is produced in rabbit by using as an immunogen synthesized peptide derived from part region of human PDGFR ? protein
Cellular and Molecular Processes in Pulmonary Hypertension
Pulmonary hypertension (PH) is a progressive lung disease characterized by persistent pulmonary vasoconstriction. Another well-recognized characteristic of PH is the muscularization of peripheral pulmonary arteries.
This pulmonary vasoremodeling manifests in medial hypertrophy/hyperplasia of smooth muscle cells (SMCs) with possible neointimal formation. The underlying molecular processes for these two major vascular responses remain not fully understood.
On the other hand, a series of very recent studies have shown that the increased reactive oxygen species (ROS) seems to be an important player in mediating pulmonary vasoconstriction and vasoremodeling, thereby leading to PH. Mitochondria are a primary site for ROS production in pulmonary artery (PA) SMCs, which subsequently activate NADPH oxidase to induce further ROS generation, i.e., ROS-induced ROS generation.
ROS control the activity of multiple ion channels to induce intracellular Ca2+ release and extracellular Ca2+ influx (ROS-induced Ca2+ release and influx) to cause PH. ROS and Ca2+ signaling may synergistically trigger an inflammatory cascade to implicate in PH.
Accordingly, this paper explores the important roles of ROS, Ca2+, and inflammatory signaling in the development of PH, including their reciprocal interactions, key molecules, and possible therapeutic targets.
