The cannabinoid receptors (CB1/CB2) and the T-type calcium channels are involved in disorders associated with both physiological pain and depressive behaviors. Valuable pharmacological species carbazole derivatives such as the NMP-4, NMP-7, and NMP-181 (Neuro Molecular Production) regulate both biological entities. In this work, DFT calculations were performed to characterize theoretically their structural and chemical reactivity properties using the BP86/cc-pVTZ level of theory. The molecular orbital contributions and the chemical reactivity analysis reveal that a major participation of the carbazole group is in the donor-acceptor interactions of the NMP compounds. The DFT analysis on the NMP compounds provides insights into the relevant functional groups involved during the ligand-receptor interactions. Molecular docking analysis is used to reveal possible sites of interaction of the NMP compounds with the Cav3.2 calcium channel. The interaction energy values and reported experimental evidence indicate that the site denominated as “Pore-blocking”, which is formed mainly by hydrophobic residues and the T586 residue, is a probable binding site for the NMP compounds.
A cascade least-squares scheme for wrapped phase extraction using two or more phase-shifted fringe-patterns with unknown and inhomogeneous surface phase shift is proposed. This algorithm is based on the parameter estimation approach to process fringe-patterns where, except for the interest phase distribution that is a function of the space only, all other parameters are functions of both space and time. Computer simulations and experimental results show that phase computing is possible even when an inhomogeneous phase shift is induced by nonlinearity of the piezoelectric materials or miscalibrated phase shifters. The algorithm's features and its operating conditions will been discussed. Due to the useful properties of this algorithm such as the robustness, computational efficiency, and user-free execution, this proposal could be used in automatic applications.
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