AfroDb: A Select Highly Potent and Diverse Natural Product Library from African Medicinal Plants

Ntie‐Kang, Fidele; Zofou, Denis; Babiaka, Smith B.; Meudom, Rolande; Scharfe, Michael; Lifongo, Lydia L.; Mbah, James A.; Mbaze, Luc Meva’a; Sippl, Wolfgang; Efange, Simon M. N.

doi:10.1371/journal.pone.0078085

Cited by 181 publications

(141 citation statements)

References 69 publications

Supporting

Mentioning

139

Contrasting

Unclassified

Order By: Relevance

“…Sketching of the 3D structures of the compounds was done using the builder module of the MOE software (CCG, Montreal). Energy minimisation was subsequently carried out using a previously described protocol [35–39], using the MMFF94 forcefield [40], reaching a gradient of 0.01 kcal/mol. The energy minimized structures were then saved (in mol2 format).…”

Section: Experimental Pharmacokinetic Profilingmentioning

confidence: 99%

Antiparasitic Sesquiterpenes from the Cameroonian Spice Scleria striatinux and Preliminary In Vitro and In Silico DMPK Assessment

Nyongbela¹,

Ntie‐Kang²,

Hoye³

et al. 2017

Nat. Prod. Bioprospect.

Self Cite

View full text Add to dashboard Cite

The antiparasitic activity and preliminary in vitro and in silico drug metabolism and pharmacokinetic (DMPK) assessment of six isomeric sesquiterpenes (1–6), isolated from the Cameroonian spice Scleria striatinux De Wild (Cyperaceae) is reported. The study was prompted by the observation that two of the compounds (1 and 2) exhibited varying levels of antiparasitic activity on Plasmodium falciparum, Trypanosoma brucei rhodesiense, Trypanosoma cruzi and Leishmania donovani. The in silico method employed a total of 46 descriptors, calculated using Schrödinger QikProp software. 18 of these molecular descriptors that are often used to predict DMPK profiles of drug-like molecules have been selected for discussion. In vitro experimental assessment of metabolic stability made use of human liver microsomes, which was used to correlate theoretical predictions with experimental findings. Overall, the test compounds have been found to have acceptable physicochemical properties and fall within the ranges associated with “drug-like” molecules. Moreover, the compounds exhibited minimal degradation in incubations with human liver microsomes. Although some of these compounds have been reported previously (1, 2, 4 and 5), this is the first report on their antiparasitic activities, as well as assessment of their DMPK profiles. These results have therefore provided a window for further development of this novel class of sesquiterpene molecules as potential antiparasitic drugs.Graphical Abstract Electronic supplementary materialThe online version of this article (doi:10.1007/s13659-017-0125-y) contains supplementary material, which is available to authorized users.

show abstract

Section: Experimental Pharmacokinetic Profilingmentioning

confidence: 99%

Antiparasitic Sesquiterpenes from the Cameroonian Spice Scleria striatinux and Preliminary In Vitro and In Silico DMPK Assessment

Nyongbela¹,

Ntie‐Kang²,

Hoye³

et al. 2017

Nat. Prod. Bioprospect.

Self Cite

View full text Add to dashboard Cite

show abstract

“…It was further shown that the compound had some suppressive effect on egg-laying capacity in a dose-dependence manner. 132 Elaeodendron schlechteranum (Celastraceae) is the source of tingenin B or 22β-hydroxytingenone (54). 133 This compound has displayed a broad range of activities e.g.…”

Section: Triterpenoidsmentioning

confidence: 99%

“…[39][40][41][42][43][44][45][46][47][48] The criteria for choosing a particular natural product for studies are either based on the pre-existing traditional use of the source species in therapy (ethnobotanical knowledge) or the search for structurally related molecules with known pharmacologically active agents from chemical databases. [49][50][51][52][53][54] The African continent is highly diverse ethnobotanically. This might explain why about 80% of the population tends to rely on medicinal plants as a primary source of healthcare.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Compounds from African Medicinal Plants with Activities against Protozoal Diseases: Schistosomiasis, Trypanosomiasis and Leishmaniasis

Cv¹,

Ntie‐Kang²,

Sh.³

et al. 2018

Preprint

Self Cite

View full text Add to dashboard Cite

An absolute configuration of 5R seems to decrease activity of the compound IntroductionProtozoa may be considered as microscopic, essentially single-celled, eukaryotic organisms that are free-living or parasitic (obtaining their food by eating other organisms or their products) in nature. Parasitic protozoal diseases continue to be a cause of considerable morbidity and mortality globally. 1,2Parasitic protozoal diseases include malaria, 3,4 trypanosomiasis (African sleeping sickness and Chagas disease), 5-7 leishmaniasis 8 and schistosomiasis. 9,10 They threaten almost one-third of the world's population, the most numerous incidents being recorded in over 100 Tropical and developing countries and territories, Figure 1. 11,12 Malaria, for example, was reported by the WHO, to be responsible for approximately 214 million sickness cases and 438,000 deaths globally in 2017. 13 The African region recorded the most death-related cases, especially amongst infants below the age of 5 and pregnant women. Schistosomiasis, caused by parasites of the Schistosoma genus are responsible for about 200 million sickness cases and about 280,000 death-related incidents annually worldwide.9,10,14 Only one drug (praziquantel) has been proven to be effective in the treatment of human schistosomiasis, with no vaccine available or in development so far.15-21 Serious concerns about drug selectivity and resistance were raised in 2013 when over 30 million people were treated in Sub-Saharan Africa. 20 Moreover, observed resistance and reduced efficiency of praziquantel in laboratory strains have prompted the search for alternative therapeutic strategies. Trypanosomiasis, which represents several diseases caused by parasites of the genus Trypanosoma, is also of interest. 5,27,29 This disease, which is much arguably the most important disease of man and domesticated animals, accounts for over 8 million reported annual cases globally, especially in the tropical regions of Latin America and Africa. 30,31 Although the present number of cases seems negligible on a worldwide scale, great socioeconomic effects on the endemic areas by this disease are forecast if inadequate attention (both at the communal, national, and international levels) is not given. 7,29,[32][33][34] Leishmaniasis is caused by parasites of the Leishmania type, which is also transmitted by certain types of sandflies. 35,36 The diseases are reported by the WHO to be responsible for about 1 million new cases leading to approximately 30,000 deaths annually on a global scale. The major cause is linked to environmental changes A R T I C L E I N F O A B S T R A C TArticle history:English abstract: Parasitic diseases continue represent a threat on a global scale, particularly among the poorest countries in the world. This is particularly because of the absence of vaccines, and in some cases, resistance against available drugs, currently being used for their treatment. In this review emphasis is laid on natural products and scaffolds from African medicinal plants (AMPs) for lead drug di...

show abstract

“…Interestingly, within last four to five years, a huge number of public repositories have been established for medicinal plants and their derived phytochemicals. The list includes, but is not limited to MPD3 [21], Phytochemica [22], SerpentinaDB [23], FERN Ethnomedicinal Plant Database [24], Naturally Occurring Plant-based Anti-Cancer Compound-Activity-Target Database (NPACT) [25], SuperNatural [26], Herb Ingredients' Targets (HIT) [27], Cancer Resource-dataset of compound-target interactions [13], Traditional Chinese medicine database (TCMD) [28], China natural products database (CNPD) [29], Chinese herb constituents database (CHCD) [30], Bioactive plant compounds database (BPCD) [30], Nuclei of Bioassays, Ecophysiology and Biosynthesis of Natural Products Database (NuBBEDB) [31,32], Northern African Natural Products Database (NANPDB) [33], Highly potent and diverse natural product library from African medicinal plants (AfroDb) [34], Molecular modeling of potential anticancer agents from African medicinal plants (AfroCancer) [35], Database of Volatile Organic Compounds in Cancer (VOCC) [36], and Nutrient Use Efficiency (NtUE) Web-Resource [37]. However, a similar comprehensive database for Uttarakhand medicinal plants is still not available despite a recent database development by the ENVIS center on Forestry with very limited scope and information.…”

Section: Introductionmentioning

confidence: 99%

Uttarakhand Medicinal Plants Database (UMPDB): A Platform for Exploring Genomic, Chemical, and Traditional Knowledge

Kumar

Sharma

et al. 2018

Data

View full text Add to dashboard Cite

Abstract:Medicinal plants are the main natural pools for the primary health care system, ethno-medicine, as well as traditional Indian system of several medicines. Uttarakhand also known as 'Herbal State', is a rich source of medicinal plants and traditional medicinal knowledge. A great deal of information about medicinal plants of Uttarakhand is scattered in different forms. Although many medicinal plant databases are available, currently there is no cohesive manually curated database of medicinal plants widely distributed in Uttarakhand state. A comprehensive database has been developed, known as the Uttarakhand Medicinal Plants Database (UMPDB). UMPDB provides extensive information on botanical name, common name, taxonomy, genomic taxonomy id, habit, habitat, location in Uttarakhand, part use, medicinal use, genomic information (including number of nucleotides, proteins, ESTs), chemical information, and scientific literature. Annotated medicinal plants integrated in the current version of the database were collected from the existing books, databases, and available literature. The current version of UMPDB contains the 1127 records of medicinal plants which belong to 153 plant families distributed across 13 districts of Uttarakhand. The primary goal of developing this database is to provide traditional, genomic, and chemical descriptions of the medicinal plants exclusively found in various regions of Uttarakhand. We anticipate that embedded information in the database would help users to readily obtain desired information.

show abstract

AfroDb: A Select Highly Potent and Diverse Natural Product Library from African Medicinal Plants

Cited by 181 publications

References 69 publications

Antiparasitic Sesquiterpenes from the Cameroonian Spice Scleria striatinux and Preliminary In Vitro and In Silico DMPK Assessment

Antiparasitic Sesquiterpenes from the Cameroonian Spice Scleria striatinux and Preliminary In Vitro and In Silico DMPK Assessment

Compounds from African Medicinal Plants with Activities against Protozoal Diseases: Schistosomiasis, Trypanosomiasis and Leishmaniasis

Uttarakhand Medicinal Plants Database (UMPDB): A Platform for Exploring Genomic, Chemical, and Traditional Knowledge

Contact Info

Product

Resources

About