acid  (TargetMol)

Journal: Pharmaceuticals

Article Title: Natural Product-Based Screening for Lead Compounds Targeting SARS CoV-2 M pro

doi: 10.3390/ph16050767

Figure Lengend Snippet: ( a ) Scatter diagram of inhibition rates’ distribution of 2526 compounds to M pro at 80 μM. The gradient inhibition rates of compounds ( b ) fraxetin, ( c ) vanitiolide, ( d ) (−)–gallocatechin gallate, ( e ) hematoxylin, ( f ) wedelolactone, ( g ) β,β−dimethylacrylalkannin, ( h ) hydroxytyrosol ccetate, ( i ) Cholesterol 3–Sulfate Sodium Salt, ( j ) ginkgolic acid C15:1, ( k ) melanin, and ( l ) baicalein to M pro under two conditions; error bars: mean ± S.D. of three independent replicates.

Article Snippet: The Natural Product Library for HTS (catalog number L6000, 50 μL per hole, 10 mM, TargetMol, Shanghai, China, September 2020) was purchased from Shanghai Taosu Biochemical Technology Co., Ltd., including the following: fraxetin (catalog number T2909, TargetMol), vanitiolide (catalog number T0243, TargetMol), (−)–gallocatechin gallate (catalog number T3807, TargetMol), hematoxylin (catalog number T1686, TargetMol), wedelolactone (catalog number T3384, TargetMol), β,β–dimethylacrylalkannin (catalog number T5703, TargetMol), hydroxytyrosol acetate (catalog number T8168, TargetMol), cholesteryl sodium sulfate (catalog number T5239, TargetMol), ginkgolic acid C15:1 (catalog number T6S2123, TargetMol), melanin (catalog number HY-113485, MedChemExpress, Shanghai, China), baicalein (catalog number T2858, TargetMol), sanguinarine (catalog number T2781, TargetMol), corylifol A (catalog number T4S0145, TargetMol), M pro fluorescent substrate (MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2,C223JGC240-1/PE0977, GenScript, Nanjing, China), Sensor Chip SA (10291121, GE Healthcare, Shanghai, China), NHS-PEG12-Biotin (21313, Thermo Scientific, Beijing, China), ultrafiltration centrifuge tube (UFC901096, Millipore), 96-well MicrotiterTM microplate (2305-11, Thermo Scientific), black 96-well plate (655077, Greiner Bio-One, Beijing, China), TritonTM X-100 (T109026, Aladdin, Beijing, China), Eppendorf tube (23-2052LK, Crystalgen, Beijing, China).

Techniques: Inhibition

Journal: Pharmaceuticals

Article Title: Natural Product-Based Screening for Lead Compounds Targeting SARS CoV-2 M pro

doi: 10.3390/ph16050767

Figure Lengend Snippet: SPR-binding dissociation curves of compounds ( a ) hematoxylin (single−cycle), ( b ) (−)–gallocatechin gallate (single–cycle), ( c ) ginkgolic acid C15:1 (multi–cycle), ( d ) fraxetin, ( e ) hydroxytyrosol acetate, ( f ) vanitiolide. The gradient concentrations of the compounds are from low to high: 31.25 μM, 62.5 μM, 125 μM, 250 μM and 500 μM, and the single concentration was measured at 200 μM. The single-cycle kinetics were analyzed using 1:1 binding and the multi-cycle kinetics were analyzed by steady-state affinity.

Article Snippet: The Natural Product Library for HTS (catalog number L6000, 50 μL per hole, 10 mM, TargetMol, Shanghai, China, September 2020) was purchased from Shanghai Taosu Biochemical Technology Co., Ltd., including the following: fraxetin (catalog number T2909, TargetMol), vanitiolide (catalog number T0243, TargetMol), (−)–gallocatechin gallate (catalog number T3807, TargetMol), hematoxylin (catalog number T1686, TargetMol), wedelolactone (catalog number T3384, TargetMol), β,β–dimethylacrylalkannin (catalog number T5703, TargetMol), hydroxytyrosol acetate (catalog number T8168, TargetMol), cholesteryl sodium sulfate (catalog number T5239, TargetMol), ginkgolic acid C15:1 (catalog number T6S2123, TargetMol), melanin (catalog number HY-113485, MedChemExpress, Shanghai, China), baicalein (catalog number T2858, TargetMol), sanguinarine (catalog number T2781, TargetMol), corylifol A (catalog number T4S0145, TargetMol), M pro fluorescent substrate (MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2,C223JGC240-1/PE0977, GenScript, Nanjing, China), Sensor Chip SA (10291121, GE Healthcare, Shanghai, China), NHS-PEG12-Biotin (21313, Thermo Scientific, Beijing, China), ultrafiltration centrifuge tube (UFC901096, Millipore), 96-well MicrotiterTM microplate (2305-11, Thermo Scientific), black 96-well plate (655077, Greiner Bio-One, Beijing, China), TritonTM X-100 (T109026, Aladdin, Beijing, China), Eppendorf tube (23-2052LK, Crystalgen, Beijing, China).

Techniques: Binding Assay, Concentration Assay

Journal: Pharmaceuticals

Article Title: Natural Product-Based Screening for Lead Compounds Targeting SARS CoV-2 M pro

doi: 10.3390/ph16050767

Figure Lengend Snippet: Binding pattern of compounds ( a ) baicalein, ( b ) cholesteryl sodium sulfate, ( c ) ginkgolic acid C15:1, ( d ) wedelolactone, ( e ) (−)–gallocatechin gallate, ( f ) melanin, ( g ) β,β–dimethylacrylalkannin, ( h ) hematoxylin to M pro (PDB code: 7RFS) active site. The red and blue colors on the protein surface are the surface electrostatic potential, with red representing negative charge and blue representing positive charge.

Article Snippet: The Natural Product Library for HTS (catalog number L6000, 50 μL per hole, 10 mM, TargetMol, Shanghai, China, September 2020) was purchased from Shanghai Taosu Biochemical Technology Co., Ltd., including the following: fraxetin (catalog number T2909, TargetMol), vanitiolide (catalog number T0243, TargetMol), (−)–gallocatechin gallate (catalog number T3807, TargetMol), hematoxylin (catalog number T1686, TargetMol), wedelolactone (catalog number T3384, TargetMol), β,β–dimethylacrylalkannin (catalog number T5703, TargetMol), hydroxytyrosol acetate (catalog number T8168, TargetMol), cholesteryl sodium sulfate (catalog number T5239, TargetMol), ginkgolic acid C15:1 (catalog number T6S2123, TargetMol), melanin (catalog number HY-113485, MedChemExpress, Shanghai, China), baicalein (catalog number T2858, TargetMol), sanguinarine (catalog number T2781, TargetMol), corylifol A (catalog number T4S0145, TargetMol), M pro fluorescent substrate (MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2,C223JGC240-1/PE0977, GenScript, Nanjing, China), Sensor Chip SA (10291121, GE Healthcare, Shanghai, China), NHS-PEG12-Biotin (21313, Thermo Scientific, Beijing, China), ultrafiltration centrifuge tube (UFC901096, Millipore), 96-well MicrotiterTM microplate (2305-11, Thermo Scientific), black 96-well plate (655077, Greiner Bio-One, Beijing, China), TritonTM X-100 (T109026, Aladdin, Beijing, China), Eppendorf tube (23-2052LK, Crystalgen, Beijing, China).

Techniques: Binding Assay

Journal: Pharmaceuticals

Article Title: Natural Product-Based Screening for Lead Compounds Targeting SARS CoV-2 M pro

doi: 10.3390/ph16050767

Figure Lengend Snippet: The drug-like properties and pharmacokinetic parameters of screening compounds.

Article Snippet: The Natural Product Library for HTS (catalog number L6000, 50 μL per hole, 10 mM, TargetMol, Shanghai, China, September 2020) was purchased from Shanghai Taosu Biochemical Technology Co., Ltd., including the following: fraxetin (catalog number T2909, TargetMol), vanitiolide (catalog number T0243, TargetMol), (−)–gallocatechin gallate (catalog number T3807, TargetMol), hematoxylin (catalog number T1686, TargetMol), wedelolactone (catalog number T3384, TargetMol), β,β–dimethylacrylalkannin (catalog number T5703, TargetMol), hydroxytyrosol acetate (catalog number T8168, TargetMol), cholesteryl sodium sulfate (catalog number T5239, TargetMol), ginkgolic acid C15:1 (catalog number T6S2123, TargetMol), melanin (catalog number HY-113485, MedChemExpress, Shanghai, China), baicalein (catalog number T2858, TargetMol), sanguinarine (catalog number T2781, TargetMol), corylifol A (catalog number T4S0145, TargetMol), M pro fluorescent substrate (MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2,C223JGC240-1/PE0977, GenScript, Nanjing, China), Sensor Chip SA (10291121, GE Healthcare, Shanghai, China), NHS-PEG12-Biotin (21313, Thermo Scientific, Beijing, China), ultrafiltration centrifuge tube (UFC901096, Millipore), 96-well MicrotiterTM microplate (2305-11, Thermo Scientific), black 96-well plate (655077, Greiner Bio-One, Beijing, China), TritonTM X-100 (T109026, Aladdin, Beijing, China), Eppendorf tube (23-2052LK, Crystalgen, Beijing, China).

Techniques: Molecular Weight, Solubility, Permeability

Journal: Pharmaceuticals

Article Title: Natural Product-Based Screening for Lead Compounds Targeting SARS CoV-2 M pro

doi: 10.3390/ph16050767

Figure Lengend Snippet: ( a ) Scatter diagram of inhibition rates’ distribution of 2526 compounds to M pro at 80 μM. The gradient inhibition rates of compounds ( b ) fraxetin, ( c ) vanitiolide, ( d ) (−)–gallocatechin gallate, ( e ) hematoxylin, ( f ) wedelolactone, ( g ) β,β−dimethylacrylalkannin, ( h ) hydroxytyrosol ccetate, ( i ) Cholesterol 3–Sulfate Sodium Salt, ( j ) ginkgolic acid C15:1, ( k ) melanin, and ( l ) baicalein to M pro under two conditions; error bars: mean ± S.D. of three independent replicates.

Article Snippet: The Natural Product Library for HTS (catalog number L6000, 50 μL per hole, 10 mM, TargetMol, Shanghai, China, September 2020) was purchased from Shanghai Taosu Biochemical Technology Co., Ltd., including the following: fraxetin (catalog number T2909, TargetMol), vanitiolide (catalog number T0243, TargetMol), (−)–gallocatechin gallate (catalog number T3807, TargetMol), hematoxylin (catalog number T1686, TargetMol), wedelolactone (catalog number T3384, TargetMol), β,β–dimethylacrylalkannin (catalog number T5703, TargetMol), hydroxytyrosol acetate (catalog number T8168, TargetMol), cholesteryl sodium sulfate (catalog number T5239, TargetMol), ginkgolic acid C15:1 (catalog number T6S2123, TargetMol), melanin (catalog number HY-113485, MedChemExpress, Shanghai, China), baicalein (catalog number T2858, TargetMol), sanguinarine (catalog number T2781, TargetMol), corylifol A (catalog number T4S0145, TargetMol), M pro fluorescent substrate (MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2,C223JGC240-1/PE0977, GenScript, Nanjing, China), Sensor Chip SA (10291121, GE Healthcare, Shanghai, China), NHS-PEG12-Biotin (21313, Thermo Scientific, Beijing, China), ultrafiltration centrifuge tube (UFC901096, Millipore), 96-well Microtiter™ microplate (2305-11, Thermo Scientific), black 96-well plate (655077, Greiner Bio-One, Beijing, China), Triton™ X-100 (T109026, Aladdin, Beijing, China), Eppendorf tube (23-2052LK, Crystalgen, Beijing, China).

Techniques: Inhibition

Journal: Pharmaceuticals

Article Title: Natural Product-Based Screening for Lead Compounds Targeting SARS CoV-2 M pro

doi: 10.3390/ph16050767

Figure Lengend Snippet: SPR-binding dissociation curves of compounds ( a ) hematoxylin (single−cycle), ( b ) (−)–gallocatechin gallate (single–cycle), ( c ) ginkgolic acid C15:1 (multi–cycle), ( d ) fraxetin, ( e ) hydroxytyrosol acetate, ( f ) vanitiolide. The gradient concentrations of the compounds are from low to high: 31.25 μM, 62.5 μM, 125 μM, 250 μM and 500 μM, and the single concentration was measured at 200 μM. The single-cycle kinetics were analyzed using 1:1 binding and the multi-cycle kinetics were analyzed by steady-state affinity.

Article Snippet: The Natural Product Library for HTS (catalog number L6000, 50 μL per hole, 10 mM, TargetMol, Shanghai, China, September 2020) was purchased from Shanghai Taosu Biochemical Technology Co., Ltd., including the following: fraxetin (catalog number T2909, TargetMol), vanitiolide (catalog number T0243, TargetMol), (−)–gallocatechin gallate (catalog number T3807, TargetMol), hematoxylin (catalog number T1686, TargetMol), wedelolactone (catalog number T3384, TargetMol), β,β–dimethylacrylalkannin (catalog number T5703, TargetMol), hydroxytyrosol acetate (catalog number T8168, TargetMol), cholesteryl sodium sulfate (catalog number T5239, TargetMol), ginkgolic acid C15:1 (catalog number T6S2123, TargetMol), melanin (catalog number HY-113485, MedChemExpress, Shanghai, China), baicalein (catalog number T2858, TargetMol), sanguinarine (catalog number T2781, TargetMol), corylifol A (catalog number T4S0145, TargetMol), M pro fluorescent substrate (MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2,C223JGC240-1/PE0977, GenScript, Nanjing, China), Sensor Chip SA (10291121, GE Healthcare, Shanghai, China), NHS-PEG12-Biotin (21313, Thermo Scientific, Beijing, China), ultrafiltration centrifuge tube (UFC901096, Millipore), 96-well Microtiter™ microplate (2305-11, Thermo Scientific), black 96-well plate (655077, Greiner Bio-One, Beijing, China), Triton™ X-100 (T109026, Aladdin, Beijing, China), Eppendorf tube (23-2052LK, Crystalgen, Beijing, China).

Techniques: Binding Assay, Concentration Assay

Journal: Pharmaceuticals

Article Title: Natural Product-Based Screening for Lead Compounds Targeting SARS CoV-2 M pro

doi: 10.3390/ph16050767

Figure Lengend Snippet: Binding pattern of compounds ( a ) baicalein, ( b ) cholesteryl sodium sulfate, ( c ) ginkgolic acid C15:1, ( d ) wedelolactone, ( e ) (−)–gallocatechin gallate, ( f ) melanin, ( g ) β,β–dimethylacrylalkannin, ( h ) hematoxylin to M pro (PDB code: 7RFS) active site. The red and blue colors on the protein surface are the surface electrostatic potential, with red representing negative charge and blue representing positive charge.

Article Snippet: The Natural Product Library for HTS (catalog number L6000, 50 μL per hole, 10 mM, TargetMol, Shanghai, China, September 2020) was purchased from Shanghai Taosu Biochemical Technology Co., Ltd., including the following: fraxetin (catalog number T2909, TargetMol), vanitiolide (catalog number T0243, TargetMol), (−)–gallocatechin gallate (catalog number T3807, TargetMol), hematoxylin (catalog number T1686, TargetMol), wedelolactone (catalog number T3384, TargetMol), β,β–dimethylacrylalkannin (catalog number T5703, TargetMol), hydroxytyrosol acetate (catalog number T8168, TargetMol), cholesteryl sodium sulfate (catalog number T5239, TargetMol), ginkgolic acid C15:1 (catalog number T6S2123, TargetMol), melanin (catalog number HY-113485, MedChemExpress, Shanghai, China), baicalein (catalog number T2858, TargetMol), sanguinarine (catalog number T2781, TargetMol), corylifol A (catalog number T4S0145, TargetMol), M pro fluorescent substrate (MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2,C223JGC240-1/PE0977, GenScript, Nanjing, China), Sensor Chip SA (10291121, GE Healthcare, Shanghai, China), NHS-PEG12-Biotin (21313, Thermo Scientific, Beijing, China), ultrafiltration centrifuge tube (UFC901096, Millipore), 96-well Microtiter™ microplate (2305-11, Thermo Scientific), black 96-well plate (655077, Greiner Bio-One, Beijing, China), Triton™ X-100 (T109026, Aladdin, Beijing, China), Eppendorf tube (23-2052LK, Crystalgen, Beijing, China).

Techniques: Binding Assay

Journal: Pharmaceuticals

Article Title: Natural Product-Based Screening for Lead Compounds Targeting SARS CoV-2 M pro

doi: 10.3390/ph16050767

Figure Lengend Snippet: The drug-like properties and pharmacokinetic parameters of screening compounds.

Article Snippet: The Natural Product Library for HTS (catalog number L6000, 50 μL per hole, 10 mM, TargetMol, Shanghai, China, September 2020) was purchased from Shanghai Taosu Biochemical Technology Co., Ltd., including the following: fraxetin (catalog number T2909, TargetMol), vanitiolide (catalog number T0243, TargetMol), (−)–gallocatechin gallate (catalog number T3807, TargetMol), hematoxylin (catalog number T1686, TargetMol), wedelolactone (catalog number T3384, TargetMol), β,β–dimethylacrylalkannin (catalog number T5703, TargetMol), hydroxytyrosol acetate (catalog number T8168, TargetMol), cholesteryl sodium sulfate (catalog number T5239, TargetMol), ginkgolic acid C15:1 (catalog number T6S2123, TargetMol), melanin (catalog number HY-113485, MedChemExpress, Shanghai, China), baicalein (catalog number T2858, TargetMol), sanguinarine (catalog number T2781, TargetMol), corylifol A (catalog number T4S0145, TargetMol), M pro fluorescent substrate (MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2,C223JGC240-1/PE0977, GenScript, Nanjing, China), Sensor Chip SA (10291121, GE Healthcare, Shanghai, China), NHS-PEG12-Biotin (21313, Thermo Scientific, Beijing, China), ultrafiltration centrifuge tube (UFC901096, Millipore), 96-well Microtiter™ microplate (2305-11, Thermo Scientific), black 96-well plate (655077, Greiner Bio-One, Beijing, China), Triton™ X-100 (T109026, Aladdin, Beijing, China), Eppendorf tube (23-2052LK, Crystalgen, Beijing, China).

Techniques: Molecular Weight, Solubility, Permeability

Journal: Frontiers in Microbiology

Article Title: Validation of a 16th Century Traditional Chinese Medicine Use of Ginkgo biloba as a Topical Antimicrobial

doi: 10.3389/fmicb.2019.00775

Figure Lengend Snippet: MICs and MBICs of extracts from different Gingko biloba plant tissues.

Article Snippet: Nine chemicals known to be present in Ginkgo biloba were obtained from various suppliers: bilobalide (Fisher Scientific, Hampton, NH, United States), ginkgolide A (LKT Laboratories, St. Paul, MN, United States), ginkgolic acid C15:1, ginkgolide B, isorhamnetin, and quercetin (Cayman Chemical Co., Ann Arbor, MI, United States), ginkgotoxin and rutin (Sigma Aldrich, Saint-Louis, MO, United States), kaempferol (Enzo Life Sciences Inc., Farmingdale, NY, United States) ( ).

Techniques:

Journal: Frontiers in Microbiology

Article Title: Validation of a 16th Century Traditional Chinese Medicine Use of Ginkgo biloba as a Topical Antimicrobial

doi: 10.3389/fmicb.2019.00775

Figure Lengend Snippet: Chemical characterization of the active extracts and quantification of ginkgolic acid C15:1.

Article Snippet: Nine chemicals known to be present in Ginkgo biloba were obtained from various suppliers: bilobalide (Fisher Scientific, Hampton, NH, United States), ginkgolide A (LKT Laboratories, St. Paul, MN, United States), ginkgolic acid C15:1, ginkgolide B, isorhamnetin, and quercetin (Cayman Chemical Co., Ann Arbor, MI, United States), ginkgotoxin and rutin (Sigma Aldrich, Saint-Louis, MO, United States), kaempferol (Enzo Life Sciences Inc., Farmingdale, NY, United States) ( ).

Techniques:

Journal: Frontiers in Microbiology

Article Title: Validation of a 16th Century Traditional Chinese Medicine Use of Ginkgo biloba as a Topical Antimicrobial

doi: 10.3389/fmicb.2019.00775

Figure Lengend Snippet: Biofilm inhibition assay on S. aureus UAMS-1 and identification of five Ginkgo standard compounds for the most active Ginkgo extract (no. 683). (A) Images of crystal violet stained biofilm in 96-well plates. USA 200 isolate UAMS-1 and its isogenic sarA mutant (UAMS-929) were used in the biofilm assay. (B) The optical density (OD 595 nm ) of the crystal violet eluent is plotted with the OD 600 nm for planktonic cells, measured by transfer of the well supernatants to a new 96-well plate. Two different positive controls (PC) are represented in the figure: PC1 = 220D-F2 extract; PC2 = ΔsarA mutant as previously described . Statistical significance in comparison to the vehicle treated wild type control is denoted as † P < 0.001. (C) HPLC chromatograms at 245 nm of Ginkgo standard compounds (i.e., quercetin 0.4 mg/mL, isorhamnetin 0.2 mg/mL, kaempferol 0.4 mg/mL, rutin 0.4 mg/mL, ginkgolic acid C15:1 0.4 mg/mL) and Ginkgo extract no. 683 (10 mg/mL) are shown in red and green line, respectively. (D) Chemical structure of ginkgolic acid C15:1.

Article Snippet: Nine chemicals known to be present in Ginkgo biloba were obtained from various suppliers: bilobalide (Fisher Scientific, Hampton, NH, United States), ginkgolide A (LKT Laboratories, St. Paul, MN, United States), ginkgolic acid C15:1, ginkgolide B, isorhamnetin, and quercetin (Cayman Chemical Co., Ann Arbor, MI, United States), ginkgotoxin and rutin (Sigma Aldrich, Saint-Louis, MO, United States), kaempferol (Enzo Life Sciences Inc., Farmingdale, NY, United States) ( ).

Techniques: Inhibition, Staining, Mutagenesis, Biofilm Production Assay, Comparison, Control

Journal: Frontiers in Microbiology

Article Title: Validation of a 16th Century Traditional Chinese Medicine Use of Ginkgo biloba as a Topical Antimicrobial

doi: 10.3389/fmicb.2019.00775

Figure Lengend Snippet: Relationship between the content of ginkgolic acid C15:1 in each extract and their antimicrobial activity. A The concentration of ginkgolic acid C15:1 is shown in mg compound per gram of dried plant material. B Antibacterial score was calculated as follows: Score = [(nb of IC 50 at 512 μg/mL) ∗ 1 + (nb of IC 50 at 256 μg/mL) ∗ 2 + (nb of IC 50 at 128 μg/mL) ∗ 3 + (nb of IC 50 at 64 μg/mL) ∗ 4 + (nb of IC 50 at 32 μg/mL) ∗ 5 + (nb of IC 50 at 16 μg/mL) ∗ 6+ (nb of IC 50 at 8 μg/mL) ∗ 7 + (nb of IC 50 at 4 μg/mL) ∗ 8 + (nb of IC 50 at 2 μg/mL) ∗ 9].

Article Snippet: Nine chemicals known to be present in Ginkgo biloba were obtained from various suppliers: bilobalide (Fisher Scientific, Hampton, NH, United States), ginkgolide A (LKT Laboratories, St. Paul, MN, United States), ginkgolic acid C15:1, ginkgolide B, isorhamnetin, and quercetin (Cayman Chemical Co., Ann Arbor, MI, United States), ginkgotoxin and rutin (Sigma Aldrich, Saint-Louis, MO, United States), kaempferol (Enzo Life Sciences Inc., Farmingdale, NY, United States) ( ).

Techniques: Activity Assay, Concentration Assay