Displaying publications 81 - 100 of 443 in total

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  1. Ahmad NH, Rahim RA, Mat I
    Trop Life Sci Res, 2010 Dec;21(2):101-13.
    PMID: 24575203
    Research on natural products has been widely used as a strategy to discover new drugs with potential for applications in complementary medicines because they have fewer side effects than conventional drugs. The aim of the present study was to evaluate the in vitro cytotoxic effects of crude aqueous Catharanthus roseus extract on Jurkat cells and normal peripheral blood mononuclear cells (PBMCs). The aqueous extract was standardised to vinblastine by high performance liquid chromatography (HPLC) and was used to determine cytotoxicity by the MTS [3-(4,5-dimethylthiazol-2-yl)-5(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium] assay. DNA fragmentation assay was employed to determine if cell death was due to apoptosis. The results showed that the aqueous extract induced cell death of Jurkat cells at 24, 48 and 72 hours post-treatment in a time- and dose-dependent manner. However, cells treated at 48 and 72 hours produced higher cytotoxic effects with half maximal inhibitory concentration (IC50) values of 2.55 μg/ml and 2.38 μg/ml, respectively. In contrast, the extract induced normal PBMC proliferation, especially after 24 hours treatment with 1000 μg/ml. This result indicates that the C. roseus crude aqueous extract showed differential effects of inhibiting the proliferation of the Jurkat cell line and promoting the growth of PBMCs. These data suggest that the extract may be applicable for modulating the normal and transformed immune cells in leukaemia patients.
    Matched MeSH terms: Inhibitory Concentration 50
  2. Widowati W, Ginting CN, Lister INE, Girsang E, Amalia A, Wibowo SHB, et al.
    Trop Life Sci Res, 2020 Oct;31(3):127-144.
    PMID: 33214860 DOI: 10.21315/tlsr2020.31.3.9
    Skin aging is a complex natural process characterised by gradual diminishment of structural integrity and physiological imbalance of the skin tissue. Since the oxidative stress is tightly corelated to the skin aging process, the usage of antioxidant may serve as favourable strategies for slowing down the skin aging process. Mangosteen is an important fruit commodity and its extract had been extensively studied and revealing various biological activities. Present study aimed to assess the antioxidant and antiaging activity of mangosteen peel extract (MPE) and its phytochemical compounds. MPE and its compounds were subjected to ferric reducing antioxidant power (FRAP), hydroperoxide (H2O2) scavenging, anti-collagenase, anti-elastase, anti-hyaluronidase and anti-tyrosinase assay. MPE has the highest FRAP 116.31 ± 0.60 μM Fe(II) μg-1 extract, IC50 of MPE on H2O2 scavenging activity was 54.61 μg mL-1. MPE also has the highest anti elastase activity at IC50 7.40 μg mL-1. Alpha-mangostin showed potent anti-collagenase activity (IC50 9.75 μg mL-1). While gamma-mangostin showed potent anti-hyaluronidase (IC50 23.85 μg mL-1) and anti-tyrosinase (IC50 50.35 μg mL-1). MPE and its compounds were evaluated in vitro for antioxidant and antiaging activities. Current findings may provide scientific evidence for possible usage of mangosteen extract and its compounds as antioxidant and antiaging agent.
    Matched MeSH terms: Inhibitory Concentration 50
  3. Yusof WNSW, Abdullah H
    Trop Life Sci Res, 2020 Apr;31(1):69-84.
    PMID: 32963712 DOI: 10.21315/tlsr2020.31.1.5
    Conventional and modern cancer treatment were reported to manifest adverse effects to the patients. More researches were conducted to search for selective cytotoxic agent of plant natural product on cancer cells. The presences of wide range phytochemicals in Quercus infectoria (QI) extract have been implicated with the cytotoxic effect against various types of cancer cell which remain undiscovered. This present study aimed to evaluate cytotoxic effect of QI extracts on selected human cancer cells and then, the most potent extract was further analysed for general phytochemical constituents. QI galls were extracted successively with n-hexane, ethyl acetate and methanol yielded three main extracts; n-hexane (QIH), ethyl acetate (QIEA) and methanol (QIM), respectively. The most potent extract was qualitatively analysed for the present of tannin, alkaloids, glycosides, saponins, terpenoids, flavonoids and phenolic compounds. Next, the extracts were tested to determine the cytotoxic activity against cervical cancer cells (HeLa), breast cancer cells (MDA-MB-231) and liver cancer cells (Hep G2) using MTT assay. Cytotoxic activity of QI extracts against normal fibroblast (L929) cell line was also evaluated to determine the cytoselective property. Meanwhile, DMSO-treated cells served as negative control while cisplatin-treated cells served as positive control. The most potent extract then chosen to be further investigated for DNA fragmentation as hallmark of apoptosis using Hoechst staining. Qualitative phytochemical analysis revealed the presence of tannin, alkaloids, glycosides, saponins, terpenoids, flavonoids and phenolic compounds. QIEA extract exhibited the most potent cytotoxic activity against HeLa cells with (IC50 value = 6.33 ± 0.33 μg/mL) and showed cytoselective property against L929 cells. DNA fragmentation revealed QIEA induced apoptosis in the treated cells. The richness of phytochemical constituents in QIEA extract might contribute to the potency of cytotoxic activity towards HeLa cells.
    Matched MeSH terms: Inhibitory Concentration 50
  4. Abdul Wahab K, Ahmad FB, Din LB, Cheah SH, Mock SL
    Trop Biomed, 2004 Dec;21(2):139-44.
    PMID: 16493406 MyJurnal
    The crude methanol extracts of Gelsemium elegans leaves were assessed for their cytotoxic activity using the microculture 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay for cellular viability. This study utilized two different types of human cancer cell lines, CaOV-3 (human ovarian cancer cells) and MDA-MB-231 (human estrogen receptor negative breast cancer cells), allowing for comparison of toxicity of G. elegans against these two cancer cells lines. Our results showed that the methanol extract of G. elegans exhibited high cytotoxicity against the human ovarian cancer cell line CaOV-3 with an IC50 value of 5microg/ml after 96 h incubation. However, G. elegans displayed discernibly less toxicity against the MDA-MB-231 cells with an IC50 value 40microg/ml after 96 h incubation and this effect was dose- and time-dependent, up to 72h and 20-30 microg/ml. In conclusion, our results demonstrated that G. elegans is potently cytotoxic against the human ovarian cancer cell line CaOV-3 and to a lesser extend towards the human breast carcinoma cancer MDA-MB-231 cells, suggesting that the extract is selective towards CaOV-3 cells and may have a chemotherapeutic role for ovarian cancer treatment in the future.
    Matched MeSH terms: Inhibitory Concentration 50
  5. Sakhor W, Teoh TC, Yusof R, Lim SK, Razif MFM
    Trop Biomed, 2020 Sep 01;37(3):609-625.
    PMID: 33612776 DOI: 10.47665/tb.37.3.609
    The hepatitis C virus (HCV) consists of eight genotypes and 90 subtypes, with genotype (GT) 3 being the second most common globally and is linked to higher incidences of steatosis and rapid development of fibrosis and cirrhosis. The NS3/4A serine protease, a heterodimer complex of two HCV non-structural proteins, is an effective target for pharmaceutical intervention due to its essential roles in processing HCV polyproteins and inhibiting innate immunity. This study combines structure-based virtual screening (SBVS) of predefined compound libraries, pharmacokinetic prediction (ADME/T) and in vitro evaluation to identify potential low molecular weight (<500 Dalton) inhibitors of the NS3/4A serine protease (GT3). In silico screening of ZINC and PubChem libraries yielded five selected compounds as potential candidates. Dose-dependent inhibition of the NS3/4A serine protease and HCV replication in HuH-7.5 cells revealed that compound A (PubChem ID No. 16672637) exhibited inhibition towards HCV GT3 with an IC50 of 106.7µM and EC50 of 25.8µM, respectively. Thus, compound A may be developed as a potent, low molecular weight drug against the HCV NS3/4A serine protease of GT3.
    Matched MeSH terms: Inhibitory Concentration 50
  6. MyJurnal
    The present study was to evaluate the toxicity of damnacanthal, nordamnacanthal, betulinic acid and zerumbone isolated from local medicinal plants towards leukemia cell lines and immune cells by using MTT assay and flow cytometry cell cycle analysis. The results showed that damnacanthal significantly inhibited HL-60 cells, CEM-SS and WEHI-3B with the IC50 value of 4.0 µg/mL, 8.0 µg/mL and 3.3 µg/mL, respectively. Nordamnacanthal and betulinic acid showed stronger inhibition towards CEM-SS and HL-60 cells with the IC50 value of 5.7 µg/mL and 5.0 µg/mL, respectively. In contrast, Zerumbone was demonstrated to be more toxic towards those leukemia cells with the IC50 value less than 10 µg/mL. Damnacanthal, nordamnacanthal and betulinic acid were not toxic towards 3T3 and PBMC compared to doxorubicin which showed toxicity effects towards 3T3 and PBMC with the IC50 value of 3.0 µg/mL and 28.0 µg/mL, respectively. The cell cycle analysis exhibited that damnacanthal exerted its toxicity effect towards HL-60 cells by inducing apoptosis with value of 25% after 72 hours treatment. Thus, these compounds could be the potential anticancer drug with less toxic side effect.
    Matched MeSH terms: Inhibitory Concentration 50
  7. Lubbe, A., Khatib, A., Yuliana, N.D., Jinap, S., Verpoorte, R.
    MyJurnal
    The whole plant extract of plant Sceletium tortuosum, plant native to South Africa, has been known
    traditionally to have mood enhancing and stimulant properties. These properties have been confirmed before by proving serotonin-uptake inhibition activity. A further confirmation by using CB1 receptor binding assay has been performed in this study. The unfermented alkaloid extract was proved to posses a higher activity to bind CB1 receptor compared to that of the fermented one. GC-MS analysis confirmed that unfermented alkoloid extract contain more alkaloids than the fermented one. The ethanol extract was also more active than the fermented one, suggesting that non-alkaloid compounds in this extract could posses this activity. An additional test to check wether this extract can improve cognitive function and memory was performed by acetylcholinesterase inhibitory assay. Both fermented and unfermented alkaloid extracts could inhibit acetylcholinesterase with IC50 being 0.303 mg/ml and 0.330 mg/ml, respectively. However, the major alkaloid in the extract, mesembrine, did not show inhibition of the enzyme. A TLC based test proved that other alkaloids in the extract were responsible to the activity.
    Matched MeSH terms: Inhibitory Concentration 50
  8. Azmi SMN, Jamal P, Amid A
    MyJurnal
    Malaysia has a rich diversity of medicinal plants and some of them inhibit xanthine oxidase (XO), which can be introduced as new natural sources of gout medication and a substitute for synthetic xanthine oxidase inhibitors (XOI). The degree of XO inhibitory activity was determined by measuring the absorbance spectrophotometrically at 295 nm, which is associated with uric acid formation. Our preliminary screening study had employed the use of distilled water, 70% methanol and absolute ethanol to extract XOI from twenty parts of five plant species, namely, Averrhoa carambola, Carica papaya, Dimocarpus longan malesianus, Manilkara zapota and Salacca zalacca. These plants were selected based on their frequent medicinal usages by local folks. The results have shown that an aqueous extract of Carica papaya mature leaves has promising activity to inhibit XO up to 75.68 ± 0.1%. Statistical experimental design were employed to optimize the selected sample (dried Carica papaya leaves: distilled water) on extraction of XOI and the maximum XOI percentage of 86.93 ± 1.9% was obtained, which exhibited only 6.76% less than the activity exhibited by allopurinol (93.69 ± 0.2%), a commercial XOI. The comparison was made between allopurinol and optimized extract on the basis of IC50concentrations. Allopurinol showed IC50 value of 3.74 μg/ml that is considerably lower as compared to the optimized sample (4.33 μg/ml).
    Matched MeSH terms: Inhibitory Concentration 50
  9. Lim, S.M., Loh, S.P.
    MyJurnal
    This study aims to determine the antioxidant capacities (AC) and antidiabetic properties of
    phenolic extracts (free and bound) from white Tambun pomelo peels, kaffir lime peels, lime
    peels and calamansi peels. AC, total phenolic content (TPC) and antidiabetic properties of
    selected citrus peels extracts were determined spectrophotometrically using 2,2-Diphenyl-1-
    picrylhydrazyl free radical (DPPH) scavenging, ferric-reducing antioxidant power (FRAP),
    Folin-Ciocalteu (FC) and α-amylase and α-glucosidase inhibition assay, respectively. This
    study found that the methanolic extract of kaffir lime showed the best AC with the lowest
    IC50 value of DPPH radical (7.51 ± 0.50 mg/ml) and highest FRAP value [369.48 ± 20.15
    mM Fe (II) E/g DW]. TPC of free phenolic extracts of all citrus peels were significantly (p<
    0.05) higher compared to the bound phenolic extracts with extract of calamansi showed the
    highest TPC. Free- and bound phenolic extract of calamansi also had the highest α-amylase
    inhibition activity (61.79 ± 4.13%; 45.30 ± 5.35%) respectively. The highest inhibitory effect in
    α-glucosidase inhibition assay of free- and bound phenolic extracts were white Tambun pomelo
    (41.06 ± 10.94%) and calamansi (43.99 ± 22.03%) respectively. Hence, the citrus peels could
    be furthered study for their potential in management and/or prevention of diabetes.
    Matched MeSH terms: Inhibitory Concentration 50
  10. Ee, G.C.L., Cheow, Y.L.
    MyJurnal
    Detail chemical studies on Carcinia maingayi have yielded one xanthone, 1,3,7-trihydroxy-2-(3-methylbut-2-enyl)-xanthone, one benzophenone, isoxanthochymol, one benzoic acid derivative 3,4-dihydroxy-methylbenzoate and two triterpenoids, stigmasterol and sitosterol. Meanwhile, investigations on Carcinia parvifolia have afforded one triterpenoid, a-amyrin and two xanthones, cowanin and rubraxanthone. Their structures were derived based on spectroscopic evidence, mainly ID and 2D NMR spectroscopy. Acetylation reaction was carried out on rubraxanthone to yield triacetate rubraxanthone. It was found that the pure rubraxanthone was strongly active against the larvae of Aedes aegypti with LC50 value of 15.49 {lg/ ml and HL-60 cells line with an IC50 value of 7.5 {lg/ ml.
    Matched MeSH terms: Inhibitory Concentration 50
  11. Latifah, S. Y., Faujan, H. A., Sze, L. P., Raha, A. R., Hisyam, A. H., Li, O. C.
    MyJurnal
    Introduction: Curcumin, a natural compound present in turmeric (Curcuma longa) has been known to possess both anti-inflammatory and antioxidant effects. Objectives: The objectives of the study were to evaluate the cytotoxic activities and to determine the mode of cell death induced by curcumin towards the human mammary carcinoma cells (MDAMB-231). Methodology: Cytotoxicity of curcumin and its effect on cell viability were determined by using MTT assay and trypan blue dye exclusion method, respectively. The mode of cell death was detected by viewing under a light microscope and through DNA fragmentation analysis. Results and discussion: Curcumin was cytotoxic to MDA-MB-231 cells with the IC50 of 17.25 ì g/ml. Cell viability treatment using curcumin at concentrations of 30 ì g/ml and 10 ì g/ml was significantly (p
    Matched MeSH terms: Inhibitory Concentration 50
  12. Indah M Amin, Mohd Ridzuan Hamid, Dayang Zahidah A. Othman, Rosfaiizah Siran, Siti Hamimah S.A. Kadir, Narimah AH Hasani
    ASM Science Journal, 2014;8(2):165-173.
    MyJurnal
    Aloe emodin, an anthraquinone of Aloe barbadensis Miller has been shown to have more cytotoxic effect in
    different kinds of human cancer cell lines compared to normal. Accordingly, we found it to selectively inhibit
    the proliferation of oestrogen-receptor-positive-(ER+)-breast cancer cells, MCF-7; but not controls cells,
    MCF-10A. However, its precise mechanism is not well understood. Several studies have shown that there is
    evidence of increased intracellular calcium (Ca2+), both at early and late stage of apoptosis which associated
    with the down-regulation of ERK1/2 proliferative pathway. Therefore, we aim to elucidate the involvement
    of intracellular Ca2+ in aloe emodin induced apoptosis on MCF-7. Apoptotic morphological changes were
    observed under fluorescence microscope. The involvement of cytoplasmic Ca2+ and MAPKs were investigated
    using Fluo-4 intracellular Ca2+ imaging and QuantiGene 2.0 Plex assay, respectively. IC50 of aloe emodin
    (80 μM) at 72 hours incubation was used. Data were evaluated using the one-way or two-way ANOVA tests.
    Our results indicated that aloe emodin at IC50 80µM induced apoptosis on MCF-7 through the association of
    intracellular Ca2+ signalling. This observation include a significant increased (p
    Matched MeSH terms: Inhibitory Concentration 50
  13. Khozirah, S., Rain, A. Noor, Siti Najila, M.J., Rohaya, C., Rosilawati, M., Nuziah, H., et al.
    MyJurnal
    The antiplasmodial activity of the crude extracts of thirty plant species collected from Sabah was evaluated using chloroquine-sensitive strain (D10) and chloroquine-resistant strain (Gombak A) of Plasmodium falciparum. Significant activities were observed for the bark extract of Polyalthia insignis (IC50 3.89 and 11.89 mg/ml against Gombak A and D10, respectively), the leaf extracts of Kopsia dasyrachis (4.62 mg/ml against Gombak A) and Litsea elliptibacea (IC50 8.88 mg/ml against Gombak A), as well as the leaf and bark extracts of Neouvaria acuminatissima (IC50 6.90-10.08 and 0.69 mg/ml against Gombak A and D10, respectively), and the bark extract of Polyalthia microtus(IC50 9.0 and 12.12 mg/ml against Gombak A and D10, respectively).
    Matched MeSH terms: Inhibitory Concentration 50
  14. Farahani, A.S.R., Zakiah, J., Abdul Rahman, M., Karsani, S.A., Wan, Ngah Wz
    Medicine & Health, 2008;3(2):256-262.
    MyJurnal
    Gamma-tocotrienol (GTT) has been shown to exhibit significant antitumor activity in a variety of tumor cells. Previous findings have demonstrated that GTT had antiprolifera-tive effects on a liver cancer cell line (HepG2) with an IC50  value of 170μM. In this study, two dimensional gel electrophoresis (2DE) was used to determine changes in protein expression in HepG2 cell line following treatment with GTT. The ultimate aim is to identify the possible molecular mechanisms involved in GTT antitumor activity. This study is focused on obtaining a 2DE protein profile for HepG2 cell line with and without
    GTT treatment. In the preliminary analysis  of the resulting 2DE profiles, 18 protein spots were found to be differentially expressed in cells treated with GTT. This observa-tion is confirmed by extending the analysis  to a larger sample size. By studying the effects of GTT treatment on differential protein expression in HepG2 cells the underly-ing mechanisms involved in the antitumor activity of GTT may be elucidated.
    Matched MeSH terms: Inhibitory Concentration 50
  15. Ahmed N, Anwar S, Thet Htar T
    Front Chem, 2017;5:36.
    PMID: 28664157 DOI: 10.3389/fchem.2017.00036
    The Plasmodium falciparum Lactate Dehydrogenase enzyme (PfLDH) catalyzes inter-conversion of pyruvate to lactate during glycolysis producing the energy required for parasitic growth. The PfLDH has been studied as a potential molecular target for development of anti-malarial agents. In an attempt to find the potent inhibitor of PfLDH, we have used Discovery studio to perform molecular docking in the active binding pocket of PfLDH by CDOCKER, followed by three-dimensional quantitative structure-activity relationship (3D-QSAR) studies of tricyclic guanidine batzelladine compounds, which were previously synthesized in our laboratory. Docking studies showed that there is a very strong correlation between in silico and in vitro results. Based on docking results, a highly predictive 3D-QSAR model was developed with q(2) of 0.516. The model has predicted r(2) of 0.91 showing that predicted IC50 values are in good agreement with experimental IC50 values. The results obtained from this study revealed the developed model can be used to design new anti-malarial compounds based on tricyclic guanidine derivatives and to predict activities of new inhibitors.
    Matched MeSH terms: Inhibitory Concentration 50
  16. Gollapalli M, Taha M, Ullah H, Nawaz M, AlMuqarrabun LMR, Rahim F, et al.
    Bioorg Chem, 2018 10;80:112-120.
    PMID: 29894890 DOI: 10.1016/j.bioorg.2018.06.001
    In search of better α-glucosidase inhibitors, a series of bis-indolylmethane sulfonohydrazides derivatives (1-14) were synthesized and evaluated for their α-glucosidase inhibitory potential. All derivatives exhibited outstanding α-glucosidase inhibition with IC50 values ranging between 0.10 ± 0.05 to 5.1 ± 0.05 μM when compared with standard drug acarbose having IC50 value 856.28 ± 3.15 μM. Among the series, analog 7 (0.10 ± 0.05 μM) with tri-chloro substitution on phenyl ring was identified as the most potent inhibitor of α-glucosidase (∼ 8500 times). The structure activity relationship has been also established. Molecular docking studies were also performed to help understand the binding interaction of the most active analogs with receptors. From the docking studies, it was observed that all the active bis-indolylmethane sulfonohydrazides derivatives showed considerable binding interactions within the active site (acarbose inhibition site) of α-glucosidase. We also evaluated toxicity of all derivatives and found none of them are toxic.
    Matched MeSH terms: Inhibitory Concentration 50
  17. Abbasi MA, Hassan M, Aziz-Ur-Rehman, Siddiqui SZ, Shah SAA, Raza H, et al.
    PeerJ, 2018;6:e4962.
    PMID: 29967717 DOI: 10.7717/peerj.4962
    The present study comprises the synthesis of a new series of sulfonamides derived from 4-methoxyphenethylamine (1). The synthesis was initiated by the reaction of 1 with 4-methylbenzenesulfonyl chloride (2) in aqueous sodium carbonate solution at pH 9 to yield N-(4-methoxyphenethyl)-4-methylbenzensulfonamide (3).This parent molecule 3 was subsequently treated with various alkyl/aralkyl halides, (4a-j), using N,N-dimethylformamide (DMF) as solvent and LiH as activator to produce a series of new N-(4-methoxyphenethyl)-N-(substituted)-4-methylbenzenesulfonamides (5a-j). The structural characterization of these derivatives was carried out by spectroscopic techniques like IR, 1H-NMR, and 13C-NMR. The elemental analysis data was also coherent with spectral data of these molecules. The inhibitory effects on acetylcholinesterase and DPPH were evaluated and it was observed that N-(4-Methoxyphenethyl)-4-methyl-N-(2-propyl)benzensulfonamide (5c) showed acetylcholinesterase inhibitory activity 0.075 ± 0.001 (IC50 0.075 ± 0.001 µM) comparable to Neostigmine methylsulfate (IC50 2.038 ± 0.039 µM).The docking studies of synthesized ligands 5a-j were also carried out against acetylcholinesterase (PDBID 4PQE) to compare the binding affinities with IC50 values. The kinetic mechanism analyzed by Lineweaver-Burk plots demonstrated that compound (5c) inhibits the acetylcholinesterase competitively to form an enzyme inhibitor complex. The inhibition constants Ki calculated from Dixon plots for compound (5c) is 2.5 µM. It was also found from kinetic analysis that derivative 5c irreversible enzyme inhibitor complex. It is proposed on the basis of our investigation that title compound 5c may serve as lead structure for the design of more potent acetylcholinesterase inhibitors.
    Matched MeSH terms: Inhibitory Concentration 50
  18. Azizah, A.H., Wee, K.C., Azizah, O., Azizah, M.
    MyJurnal
    Effect of various cooking methods on antioxidant content and radical scavenging activity of pumpkin was evaluated. Pumpkin (Cucurbita moschata) was boiled and stir-fried for 2, 4 and 6 minutes respectively. Beta-carotene and lycopene were determined using HPLC and total phenolics measured using Folin-Ciocalteu method. The free radical scavenging activity of the samples was determined using 1, 1-diphenyl-2 picrylhydrazyl assay. Interestingly, result of the study showed an increase in both beta-carotene (2 to 4 times) and lycopene (17 to 40 times) content of pumpkin after cooking for 2, 4 and 6 minutes. However, the treatment resulted in 18 to 54% losses of total phenolics content of the pumpkin. Nevertheless, the free radical scavenging activity exhibited by cooked pumpkins was found to be high, in the range of 81.1% to 94.6% with IC50 of 1.41 to 1.62 mg ml-1
    .
    Matched MeSH terms: Inhibitory Concentration 50
  19. Kumar S, Singh J, Narasimhan B, Shah SAA, Lim SM, Ramasamy K, et al.
    Chem Cent J, 2018 Oct 22;12(1):106.
    PMID: 30345469 DOI: 10.1186/s13065-018-0475-5
    BACKGROUND: Pyrimidine is an important pharmacophore in the field of medicinal chemistry and exhibit a broad spectrum of biological potentials. A study was carried out to identify the target protein of potent bis-pyrimidine derivatives using reverse docking program. PharmMapper, a robust online tool was used for identifying the target proteins based on reverse pharmacophore mapping. The murine macrophage (RAW 264.7) and human embryonic kidney (HEK-293) cancer cell line used for selectivity and safety study.

    METHODS: An open web server PharmMapper was used to identify the possible target of the developed compounds through reverse pharmacophore mapping. The results were analyzed and validated through docking with Schrodinger v9.6 using 10 protein GTPase HRas selected as possible target. The docking studies with Schrödinger validated the binding behavior of bis-pyrimidine compounds within GTP binding pocket. MTT and sulforhodamine assay were used as antiproliferative activity.

    RESULTS AND DISCUSSION: The protein was found one of the top scored targets of the compound 18, hence, the GTPase HRas protein was found crucial to be targeted for competing cancer. Toxicity study demonstrated the significant selectivity of most active compounds, 12, 16 and 18 showed negligible cell toxicity at their IC50 concentration.

    CONCLUSION: From the results, we may conclude that GTPase HRas as a possible target of studied bis-pyrimidine derivatives where the retrieved information may be quite useful for rational drug designing.

    Matched MeSH terms: Inhibitory Concentration 50
  20. Mohd Khalizan Sabullah, Mohd Ezuan Khayat
    MyJurnal
    In this study, the substrate specificity and the inhibition kinetics of various types of insecticides to the acetylcholinesterase (AChE) from a local fish; Puntius schwanenfeldii were investigated. The substrate specificity determination was done using three thiocholine substrates, which were ATC, PTC and BTC. The results showed that he partially purified cholinesterase from Puntius schwanenfeldii that preferred ATC is a true AChE. The Km and Vmax values of AChE for these substrates were 16.61 mmol and 286.5 U/mg for ATC, 19.92 mmol and 245.3 U/mg for PTC, and 48.64 mmol and 219.6 U/mg for BTC, respectively. The IC50 values for the carbamates bendiocarb, carbaryl, propoxur, carbofuran and methomyl were 0.838, 7.045, 29.441, 1.411 and 8.335 mg/L, respectively, which were comparable to the IC50 values for carbamates from several AChE from fish.
    Matched MeSH terms: Inhibitory Concentration 50
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