Synthesis of the Indolic Pentacyclic Core of Manadomanzamine A Following Biogenetically Based Strategies

Yan, Lok‐Hang; Nuhant, Philippe; Sinigaglia, Isabelle; Fromentin, Yann; Marazano, Christian; Delpech, Bernard; Poupon, Erwan

doi:10.1002/ejoc.201101133

Cited by 11 publications

(3 citation statements)

References 45 publications

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“…First, we prepared the Indonesian natural product compounds by searching the molecular structures through several journals and databases [53][54][55][56][57][58][59][60][61][62][63][64][65][66][67][68][69], after which we were drawing them using ChemBioDraw 14.0 software. From this step, we obtained about 3429 compounds in the process.…”

Section: Our In Silico Methodsmentioning

confidence: 99%

Bioinformatics Approach to Screening and Developing Drug against Ebola

Tambunan¹,

Alkaff²,

Nasution³

2018

Advances in Ebola Control

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Ebola is an acute disease causing hemorrhagic fever marked with high mortality rate. The patients who suffer from Ebola only receive palliative care because there is no available drug which can consistently cure this disease. To date, no cure has been found to treat this disease. Bioinformatics and computer-aided drug discovery and development (CADDD) are employed to utilize the readily available genomic and proteomic data and enhance the hit rate of the novel and repurposed drug for Ebola therapy. Additionally, the time and cost of wet laboratory experiments can be drastically reduced by the support of bioinformatics approach. Our laboratory has succeeded not only in creating the bioinformatics research pipeline but also screening and developing the drug candidate to cure Ebola. Through pharmacophore-based virtual screening and molecular docking simulations, we discovered that about three Indonesian natural product compounds have noteworthy molecular interactions against EBOV VP35 protein, which are responsible for the RNA synthesis of the Ebola. These compounds can be reevaluated further through advances in in silico simulation and in vitro experiments.

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Section: Our In Silico Methodsmentioning

confidence: 99%

Bioinformatics Approach to Screening and Developing Drug against Ebola

Tambunan¹,

Alkaff²,

Nasution³

2018

Advances in Ebola Control

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“…In this study, all Indonesian natural product ligands were obtained from a various study that has been conducted previously, including from HerbalDB database [32,[38][39][40][41][42][43][44][45][46][47][48][49][50][51][52][53][54]. These ligand structures were redrawn by using PerkinElmer ChemBioDraw Ultra 13.0, which can be saved later in .mol format.…”

Section: Acquiring the Indonesian Natural Product Ligands And Vp24 Prmentioning

confidence: 99%

Identification of novel Ebola virus (EBOV) VP24 inhibitor from Indonesian natural products through in silico drug design approach

Tambunan¹,

Nasution²

2017

AIP Conference Proceedings

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Sensitivity differences between microporous NaY and hierarchical ZSM-5 modified electrodes as ammonia gas sensor AIP Conference Proceedings 1862, 030081 (2017) Abstract. Ebola remains as one of the deadliest diseases in the world, with almost 29,000 cases were reported and kill 11,000 of them, and yet neither treatment nor vaccine that can combat this disease effectively. This disease is caused by ebolavirus (EBOV), a primary member of Filoviridae family. The life cycle of this virus has been operated by several key proteins, one of them is VP24 protein, which has been known for its crucial role in the transcription and replication of EBOV. Therefore, targeting VP24 protein can be a solution for treating this pathogenic disease. In this study, virtual screening of Indonesian natural products as EBOV VP24 inhibitor was performed. About 2,020 ligands from many sources, including HerbalDB database, were obtained and screened by using DataWarrior software to measure its molecular and pharmacological properties, resulting 301 ligands in the process. Then, the molecular docking simulation was performed to check the ligand's binding interaction and affinity with EBOV VP24 protein; this simulation was done by using MOE 2014.09 software. This study resulted that cycloartocarpin was the best ligand to inhibit the EBOV VP24 protein. Therefore, this ligand should be checked its stability through molecular dynamics simulation and performed in vitro test to verify its bioactivity against the EBOV VP24 protein.

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“…The inside α-yohimbine intermediates have been prepared following the method for the total synthesis of reserpine and α-yohimbane . Although several synthetic approaches toward the “inside yohimbane” skeleton have been reported, the construction of this pentacyclic ring system with five stereogenic centers in a cascade strategy with high enantioselectivity remains elusive. An efficient synthetic methodology toward this system with suitable functionality is certainly attractive and would be useful for discovering pharmaceutical lead compounds.…”

mentioning

confidence: 99%

One-Pot Organocatalytic Enantioselective Domino Double-Michael Reaction and Pictet-Spengler–Lactamization Reaction. A Facile Entry to the “Inside Yohimbane” System with Five Contiguous Stereogenic Centers

et al. 2013

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An expedited method was developed for the enantioselective synthesis of dodecahydrobenz[a]indolo[3,2-h]quinolizine containing five contiguous stereogenic centers with high enantioselectivities (>99% ee). The methodology comprises a domino organocatalytic double Michael reaction and Pictet-Spengler-lactamization reaction. The structures and absolute configurations of the appropriate products were confirmed by X-ray analysis.

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Synthesis of the Indolic Pentacyclic Core of Manadomanzamine A Following Biogenetically Based Strategies

Cited by 11 publications

References 45 publications

Bioinformatics Approach to Screening and Developing Drug against Ebola

Bioinformatics Approach to Screening and Developing Drug against Ebola

Identification of novel Ebola virus (EBOV) VP24 inhibitor from Indonesian natural products through in silico drug design approach

One-Pot Organocatalytic Enantioselective Domino Double-Michael Reaction and Pictet-Spengler–Lactamization Reaction. A Facile Entry to the “Inside Yohimbane” System with Five Contiguous Stereogenic Centers

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