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Annamaria De Luca - One of the best experts on this subject based on the ideXlab platform.

  • n aryl 2 6 dimethylbenzamides a new generation of tocainide analogues as blockers of skeletal muscle voltage gated sodium channels
    Journal of Medicinal Chemistry, 2014
    Co-Authors: Marilena Muraglia, Michela De Bellis, Alessia Catalano, Alessia Carocci, Carlo Franchini, Antonio Carrieri, Cecilia Fortugno, Carlo Bertucci, Jeanfrancois Desaphy, Annamaria De Luca
    Abstract:

    On the basis of a 3D-QSAR Study, a new generation of tocainide analogues were designed and synthesized as voltage-gated skeletal muscle sodium channel blockers. Data obtained by screening new compounds by means of Hille-Campbell Vaseline gap voltage-clamp recordings showed that the elongation of the alkyl chain and the introduction of lipophilic and sterically hindered groups on the amino function enhance both potency and use-dependent block. The results provide additional indications about the structural requirement of pharmacophores for further increasing potency and state-dependent block and allowed us to identify a new tocainide analogue (6f) with a favorable pharmacodynamic profile to be proposed as a valid candidate for studies aimed at evaluating its usefulness in the treatment of myotonias.

  • N‑Aryl-2,6-dimethylbenzamides, a New Generation of Tocainide Analogues as Blockers of Skeletal Muscle Voltage-Gated Sodium Channels
    2014
    Co-Authors: Marilena Muraglia, Michela De Bellis, Alessia Catalano, Alessia Carocci, Carlo Franchini, Antonio Carrieri, Cecilia Fortugno, Carlo Bertucci, Jeanfrancois Desaphy, Annamaria De Luca
    Abstract:

    On the basis of a 3D-QSAR Study, a new generation of tocainide analogues were designed and synthesized as voltage-gated skeletal muscle sodium channel blockers. Data obtained by screening new compounds by means of Hille-Campbell Vaseline gap voltage-clamp recordings showed that the elongation of the alkyl chain and the introduction of lipophilic and sterically hindered groups on the amino function enhance both potency and use-dependent block. The results provide additional indications about the structural requirement of pharmacophores for further increasing potency and state-dependent block and allowed us to identify a new tocainide analogue (6f) with a favorable pharmacodynamic profile to be proposed as a valid candidate for studies aimed at evaluating its usefulness in the treatment of myotonias

Adam Daïch - One of the best experts on this subject based on the ideXlab platform.

Marilena Muraglia - One of the best experts on this subject based on the ideXlab platform.

  • n aryl 2 6 dimethylbenzamides a new generation of tocainide analogues as blockers of skeletal muscle voltage gated sodium channels
    Journal of Medicinal Chemistry, 2014
    Co-Authors: Marilena Muraglia, Michela De Bellis, Alessia Catalano, Alessia Carocci, Carlo Franchini, Antonio Carrieri, Cecilia Fortugno, Carlo Bertucci, Jeanfrancois Desaphy, Annamaria De Luca
    Abstract:

    On the basis of a 3D-QSAR Study, a new generation of tocainide analogues were designed and synthesized as voltage-gated skeletal muscle sodium channel blockers. Data obtained by screening new compounds by means of Hille-Campbell Vaseline gap voltage-clamp recordings showed that the elongation of the alkyl chain and the introduction of lipophilic and sterically hindered groups on the amino function enhance both potency and use-dependent block. The results provide additional indications about the structural requirement of pharmacophores for further increasing potency and state-dependent block and allowed us to identify a new tocainide analogue (6f) with a favorable pharmacodynamic profile to be proposed as a valid candidate for studies aimed at evaluating its usefulness in the treatment of myotonias.

  • N‑Aryl-2,6-dimethylbenzamides, a New Generation of Tocainide Analogues as Blockers of Skeletal Muscle Voltage-Gated Sodium Channels
    2014
    Co-Authors: Marilena Muraglia, Michela De Bellis, Alessia Catalano, Alessia Carocci, Carlo Franchini, Antonio Carrieri, Cecilia Fortugno, Carlo Bertucci, Jeanfrancois Desaphy, Annamaria De Luca
    Abstract:

    On the basis of a 3D-QSAR Study, a new generation of tocainide analogues were designed and synthesized as voltage-gated skeletal muscle sodium channel blockers. Data obtained by screening new compounds by means of Hille-Campbell Vaseline gap voltage-clamp recordings showed that the elongation of the alkyl chain and the introduction of lipophilic and sterically hindered groups on the amino function enhance both potency and use-dependent block. The results provide additional indications about the structural requirement of pharmacophores for further increasing potency and state-dependent block and allowed us to identify a new tocainide analogue (6f) with a favorable pharmacodynamic profile to be proposed as a valid candidate for studies aimed at evaluating its usefulness in the treatment of myotonias

Virapong Prachayasittikul - One of the best experts on this subject based on the ideXlab platform.

  • synthesis anticancer activity and QSAR Study of 1 4 naphthoquinone derivatives
    European Journal of Medicinal Chemistry, 2014
    Co-Authors: Chanin Nantasenamat, Ratchanok Pingaew, Apilak Worachartcheewan, Supaluk Prachayasittikul, Somsak Ruchirawat, Virapong Prachayasittikul
    Abstract:

    Abstract A series of 2-substituted amino-3-chloro-1,4-naphthoquinone derivatives ( 3 – 12 ) were synthesized as anticancer agents and tested against four cancer cell lines including HepG2, HuCCA-1, A549 and MOLT-3. The most potent cytotoxic activity against the HepG2, HuCCA-1 and A549 cell lines was found to be m -acetylphenylamino-1,4-naphthoquinone ( 8 ) affording IC 50 values of 4.758, 2.364 and 12.279 μM, respectively. On the other hand, p -acetylphenylamino-1,4-naphthoquinone ( 9 ) exhibited the most potent cytotoxic activity against the MOLT-3 cell line with an IC 50 of 2.118 μM. Quantitative structure–activity relationship (QSAR) investigations provided good predictive performance as observed from cross-validated R of 0.9177–0.9753 and RMSE of 0.0614–0.1881. The effects of substituents at the 2-amino position on the naphthoquinone core structure and its corresponding influence on the cytotoxic activity were investigated by virtually constructing additional 1,4-naphthoquinone compounds ( 13 – 36 ) for which cytotoxic activities were predicted using equations obtained from the previously constructed QSAR models. Interpretation of informative descriptors from QSAR models revealed pertinent knowledge on physicochemical properties governing the cytotoxic activities of tested cancer cell lines. It is anticipated that the QSAR models developed herein could provide guidelines for further development of novel and potent anticancer agents.

  • QSAR model of the quorum-quenching N-acyl-homoserine lactone lactonase activity
    Journal of Biological Systems, 2008
    Co-Authors: Chanin Nantasenamat, Theeraphon Piacham, Tanawut Tantimongcolwat, Thanakorn Naenna, Chartchalerm Isarankura-na-ayudhya, Virapong Prachayasittikul
    Abstract:

    A quantitative structure-activity relationship (QSAR) Study was performed to model the lactonolysis activity of N-acyl-homoserine lactone lactonase. A data set comprising of 20 homoserine lactones and related compounds was taken from the work of Wang et al. Quantum chemical descriptors were calculated using the semiempirical AM1 method. Partial least squares regression was utilized to construct a predictive model. This computational approach reliably reproduced the lactonolysis activity with high accuracy as illustrated by the correlation coefficient in excess of 0.9. It is demonstrated that the combined use of quantum chemical descriptors with partial least squares regression are suitable for modeling the AHL lactonolysis activity.

Carlo Bertucci - One of the best experts on this subject based on the ideXlab platform.

  • n aryl 2 6 dimethylbenzamides a new generation of tocainide analogues as blockers of skeletal muscle voltage gated sodium channels
    Journal of Medicinal Chemistry, 2014
    Co-Authors: Marilena Muraglia, Michela De Bellis, Alessia Catalano, Alessia Carocci, Carlo Franchini, Antonio Carrieri, Cecilia Fortugno, Carlo Bertucci, Jeanfrancois Desaphy, Annamaria De Luca
    Abstract:

    On the basis of a 3D-QSAR Study, a new generation of tocainide analogues were designed and synthesized as voltage-gated skeletal muscle sodium channel blockers. Data obtained by screening new compounds by means of Hille-Campbell Vaseline gap voltage-clamp recordings showed that the elongation of the alkyl chain and the introduction of lipophilic and sterically hindered groups on the amino function enhance both potency and use-dependent block. The results provide additional indications about the structural requirement of pharmacophores for further increasing potency and state-dependent block and allowed us to identify a new tocainide analogue (6f) with a favorable pharmacodynamic profile to be proposed as a valid candidate for studies aimed at evaluating its usefulness in the treatment of myotonias.

  • N‑Aryl-2,6-dimethylbenzamides, a new generation of tocainide analogues as blockers of skeletal muscle voltage-gated sodium channels
    'American Chemical Society (ACS)', 2014
    Co-Authors: Muraglia Marilena, Cecilia Fortugno, Carlo Bertucci, De Bellis Michela, Catalano Alessia, Carocci Alessia, Franchini Carlo, Carrieri Antonio, Desaphy, Jean Francois, De Luca Annamaria
    Abstract:

    On the basis of a 3D-QSAR Study, a new generation of tocainide analogues were designed and synthesized as voltage-gated skeletal muscle sodium channel blockers. Data obtained by screening new compounds by means of Hille-Campbell Vaseline gap voltage-clamp recordings showed that the elongation of the alkyl chain and the introduction of lipophilic and sterically hindered groups on the amino function enhance both potency and use-dependent block. The results provide additional indications about the structural requirement of pharmacophores for further increasing potency and state-dependent block and allowed us to identify a new tocainide analogue (6f) with a favorable pharmacodynamic profile to be proposed as a valid candidate for studies aimed at evaluating its usefulness in the treatment of myotonias

  • N‑Aryl-2,6-dimethylbenzamides, a New Generation of Tocainide Analogues as Blockers of Skeletal Muscle Voltage-Gated Sodium Channels
    2014
    Co-Authors: Marilena Muraglia, Michela De Bellis, Alessia Catalano, Alessia Carocci, Carlo Franchini, Antonio Carrieri, Cecilia Fortugno, Carlo Bertucci, Jeanfrancois Desaphy, Annamaria De Luca
    Abstract:

    On the basis of a 3D-QSAR Study, a new generation of tocainide analogues were designed and synthesized as voltage-gated skeletal muscle sodium channel blockers. Data obtained by screening new compounds by means of Hille-Campbell Vaseline gap voltage-clamp recordings showed that the elongation of the alkyl chain and the introduction of lipophilic and sterically hindered groups on the amino function enhance both potency and use-dependent block. The results provide additional indications about the structural requirement of pharmacophores for further increasing potency and state-dependent block and allowed us to identify a new tocainide analogue (6f) with a favorable pharmacodynamic profile to be proposed as a valid candidate for studies aimed at evaluating its usefulness in the treatment of myotonias