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Indeed, virtual screening tools have been reported in the literature [ 2 , 3 ]. However, there exist various constraints such as strict computer hardware requirements, demands for highlytechnical computer knowledge, complex operation steps, and user-unfriendly procedures.
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Herein, we have developed a virtual screening application system which functions under the Windows environment. This is a user-friendly, flexible, and versatile tool which can be used by anybody who is familiar with Windows OS. The system is a console application for MS Windows platform. Required input files and directories AutoDock is one of the most widely used docking application tool, and its use requires a set of preparation steps for general screening [ 4 ].
Included in the process are preparations of acceptable ligands and a receptor macromolecule, calculation of maps, creation of folders for each ligand, and so on.
The authors proposed a mechanism initiated by a [1,3]-sulfonyl migration from the N atom to the distal carbon atom of the alkyne fragment resulting in intermediate The subsequent gold-activation of the alkyne moiety promotes an umpolung at the unsaturations and facilitates a 5-endo-dig cyclization toward 55, which is transformed into the indole 56 via a deaurative [1,5]-sulfinylation process. These results were also supported by a computational study Sahoo et al.
Furthermore, gold III -complexes are able to promote the activation of ynamides toward cycloisomerization reactions. In , Ye et al. It is worth to note that the usual initial carboxy rearrangement determines the fate and further transformations that encompass this chemistry. For this reason substrate design is key to successfully obtain the desired target molecule through these reactions.
Recently, Zhang et al. In this sense, related 1,n-enyne derivatives are well-exploited reactants and powerful synthethic tools to build carbonyl-based compounds.
Figure 6A describes the diasterospecific synthesis of cyclopentanones 62 owning two contiguous stereogenic carbons published by Tius et al. This cycloisomerization reaction can be conducted at room temperature with substrates 60 bearing different functional groups such as esters, -CF3 or alkyl chains.
The high diastereoselectivity observed in the transformation is related to the rapid alkenyl isomerization of the pentadienyl intermediate 61 Congmon and Tius, Gold-mediated cycloisomerization of 1,n-dieniynes started by an acyloxy shift process.
A couple of years earlier, the preparation of benzazocines 66 was accomplished from terminal 1,9-enynyl esters 63 through a gold-catalyzed cascade reaction. Xie et al proposed the initialization of the mechanism with a 1,2-acyloxy shift that further evolves with a O-cyclization to yield 1,3-dipolar intermediates Two different diastereoisomers were isolated and fully characterized, the trans isomers 66 being the major products of the reaction Figure 6B Feng et al.
The same group has reported on the successful attempts to obtain complex tetracyclic frameworks by appliying a similar gold-catalyzed protocol on related linear enynyl esters Sun et al. Liu et al. First, the gold I -complex activates the alkyne group to facilitate a 1,3-acyloxy migration leading to the allene intermediates Further along into the mechanistic pathway, the metal acts as Lewis acid promoting the intramolecular Ferrier reaction with the departure of the alcoxy group, which is integrated as a new ligand in the gold complex [Au]OR2 furnishing the oxocarbenium species Lastly the bicyclic structure of 70 is formed by cyclization and formation of AcOR2 as a by-product Liao et al.
Gold-mediated cycloisomerization of 1,n-dienynes started by an acyloxy shift process. An unusual chemoselective gold-activation of alkenes over allenes using sterically bulky ligands as ditBuXphos has been described by Shi et al. Substituted bicyclic[4. As in the case of 1,n-enynes, reactions initiated by migration of a carbonate or ester group have been subject of study in related 1,n-diyne derivatives Day and Chan, ; Li et al.
Chan et al. In the latter, therefore a cationic catalyst featuring a N-heterocyclic carbene ligand is used. In both cases the mechanistic route would be initiated by the gold-activation of the propargyl moiety promoting a 1,3-acyloxy transfer followed by several cyclizations.
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In fact, the relative position of the olefine moiety determines whether the evolution of the mechanisms at the first cyclization occurs through either a 1,4-eneallene cycloisometization toward 80 or a metallo-Nazarov cyclization toward the tetracycles In , the synthesis of naphtho[2,3-c]furan-1 3-H -ones 84 was reported via cycloisomerization of propargylic ynoates 83, under thermal conditions with BrettPhosAuCl as catalyst and in presence of NaBAr 4 F as an activator of the gold complex Figure 8B Li et al.
The reaction mechanism would involve a [3,3]-rearrangement of the propargyl ester leading to a carboxyallene intermediate followed by an intramolecular Diels-Alder cyclization.
The authors were able to synthesize up to 24 examples of 84 combining diverse alkyl and aryl substituents and they also describe a new method for the in-situ generation of carboxyallene intermediates. Gold-mediated cycloisomerization of 1,n-diynes started by an acyloxy shift process.
An interesting formation of primitive dendrimer systems containing bicyclic structures from substrates incorporating two sets of dialkynes were described by Oh et al. The hydrated NaAuCl4 mediates in the thermal cycloisomerization of 85 trough a dual 1,3- and 1,2-acyloxy transposition at the terminal and inner alkyne moieties, respectively, followed by an annulation process leading to the benzo-fused 7-member cycles 86 Figure 8C Lee et al.
The authors were able to resolve the diasteromeric mixture and even extend this protocol to other diynes in which the pivaloate substituents are located at positions 3 and 3' Lee et al. Gold-Catalyzed Cycloisomerization Processes of 1,n-enynes and 1,n-diynes Initiated by a Nucleophilic Attack Onto the Alkyne Group Gold is able to activate an alkyne group toward a nucleophilic addition and, for instance, make it susceptible to act as the receptor motif in a hydride shift reaction Xie et al.
In this sense, Wong et al. This mechanistic proposal is supported by deuterium-labeling cross-over experiments. According to the authors, there is no precedent of cycloisomerizations initiated by a gold-catalyzed 1,6-hydride transfer reaction.
This protocol provides rapid access to fused polycyclic compounds presented in many bioactive natural products as Nominine or Walsuranin B. Gold-mediated cycloisomerization reactions of 1,n-enynes containing an internal atom-centered nucleophile. An activated alkyne group could act as electrophile in an intramolecular nucleophilic attack if a functional group present within the system has such nature. An experimental gold I -mediated double 6-endo cascade cyclization strategy of enynes 92 to form benzoxanthenone and benzoacridone derivatives 93 has been described by Cheng et al.
Figure 9B. Likewise, gold III -complexes have been reported to be excellent catalysts in similar transformations. Kumar et al. Besides, the use of bimetallic complexes has become more popular in gold chemistry during the last years El Sayed Moussa et al.
Recently, Zi et al. Several reports pivoting about cycloisomerization reactions of enyne-lactones by gold I -catalysis have been published by Zhu et al.
Figure Post operative dysphagia, bleeding, gas bloating, etc. Pain was the main challenge in the early discharge and was assessed using the pain score and it was found that patients usually were comfortable postoperatively with adequate local infiltration in the muscle planes during surgery at the port sites and also with one or two doses of NSAIDs like diclofenac sodium or paracetamol.
None of the patients required readmission or felt the need to stay longer. Discussion A degree fundoplication is the most common treatment for GERD presently especially for both acid and bile reflux in patients who respond poorly to the proton pump inhibitors.
Even regression of Barrett's metaplasia after surgery has become the interest for physicians to advocate the procedure . Few papers have been published regarding the feasibility of laparoscopic Nissen fundoplication in day care setting and fewer are double cohort studies in this regard [11—13].
Thus highlighting that an approach towards day care fundoplication had begun whilst the possibility of day care cholecystectomy had already become evident and been brought into practice. Simple acceptances of a procedure to be performed as day care needs to have no increased morbidity and mortality compared to inpatient procedure, high success rate of same-day discharge and satisfied patients.
Good pain relief can be brought in by local infiltration of the diaphragm as well as port site wounds supplemented by NSAIDs or likewise . Recently new interventions to treat GERD have been developed like the magnetic sphincter positioned around the distal esophagus laparoscopically .
Here post operative pain is almost negligible since the dissection is minimal.Here post operative pain is almost negligible since the dissection is minimal. The position of the two double bonds at the final cyclopentadiene ring strongly depends on the size and type of the fused cycle, mostly carbocycles and N-heterocycles Rinaldi et al.
Gold-Catalyzed Cycloisomerization Processes of 1,n-enynes and 1,n-diynes Initiated by a Nucleophilic Attack Onto the Alkyne Group Gold is able to activate an alkyne group toward a nucleophilic addition and, for instance, make it susceptible to act as the receptor motif in a hydride shift reaction Xie et al.
In order to explain the mechanistic sequence behind these transformations Schomaker et al. Financial disclosure We the authors have no support for this research paper and have no conflicts of interest with any third party regarding any aspects of this research paper. We want your feedback! Thus, bis indoyl methyl alkynols are transformed into substituted carbazoles under catalysis of hydratated NaAuCl4 Figure 13D.
The different dr observed in products 36 respect to the dr in the initial mixture of allenes 34 is reasoned assuming that the rate of the gold-activated allene epimerization is faster than that of the carbocyclization process at the intermediate 35 Figure 3B Reeves et al.
Based on this circumstance, we attempted to develop a virtual screening application system, named VSDK Virtual Screening by Docking, which can function under the Windows platform. The De Meester score post operatively for the result of the procedure can assess the efficacy of the procedure.