Novel, Biosynthesis of Palladium Nanoparticles using Strychnos Potatorum Polysaccharide as a Green sustainable approach; and their effective Catalytic Hydrogenation of 4-Nitrophenol.

In the current study, we successfully used strychnos potatorum polysaccharide through autoclaving to synthesize palladium nanoparticles in a green, sustainable process. These polysaccharide act as a stabilizing, capping, and reducing agent. It also used various analytical characterizations, including UV-Visible spectroscopy, FT-IR spectroscopy, X-Ray diffraction (XRD), Scanning electron microscopy (FE-SEM), EDAX, and X-ray photoelectron spectroscopy (XPS), TEM and gel permeation chromatography (GPC) are used to analyze biosynthesized pallidum nanoparticles (PdNPs). The surface plasmon resonance (SPR) band at 276 nm and UV-visible spectroscopy revealed the presence of the generated PdNPs. The XRD data show that PdNPs have crystalline behavior and a pristine face-centered cubic (FCC) structure. The PdNPs were successfully developed by catalytic reduction of 4-nitrophenol (4-NP). The catalytic activity and reusability of the environmentally friendly PdNPs catalyst were demonstrated by achieving a remarkable transformation of 95 % nitrophenol to 4-aminophenol after five cycles. The reaction rate constant (k) for the degradation of 4-nitrophenol (4-NP) using SP-PdNPs as a catalyst is 0.1201 min-1 and R2 0.9867, with a normalized rate constant of (Knor = K/m) of 7.206 s-1 mM-1. These findings provide fundamental knowledge of the catalytic process governing the hydrogenation of p-nitrophenol, which will help designers of effective catalysts. An innovative and affordable technique for creating PdNPs that are environmentally acceptable and can be utilized as effective catalysts in environmental applications is the use of strychnos potatorum gum polysaccharide. The green-synthesized PdNPs can be used for pollutant remediation, including pharmaceutical, domestic, heavy metal, industrial, and pesticide pollutants.

Maternal-fetal toxicity of Strychnos pseudoquina extract treatment during pregnancy.

ETHNOPHARMACOLOGICAL RELEVANCE: Plants and herbs have been used by women throughout history for therapeutic purposes. Strychnos pseudoquina, a plant used in the treatment of various diseases, can also function as an abortive herb. There is no scientific confirmation of its effects during pregnancy, and the activity of this plant needs to be substantiated or refuted with experimental evidence. AIM OF THE STUDY: Evaluating the effect of the S. pseudoquina aqueous extract on maternal reproductive toxicity and fetal development. MATERIALS AND METHODS: The aqueous extract of S. pseudoquina bark was evaluated in Wistar rats. Pregnant rats were distributed into four experimental groups (n = 12 rats/group): Control = treated with water (vehicle); Treated 75, Treated 150, and Treated 300 = treated with S. pseudoquina at dose 75, 150 and 300 mg/kg, respectively. The rats were treated by an intragastric route (gavage) from day 0 to day 21 of pregnancy. At the end of pregnancy, maternal reproductive outcomes, organs, biochemical and hematological profiles, fetuses, and placentas were analyzed. Maternal toxicity was evaluated through body weight gain, water, and food intake. With knowledge of the harmful dosage of the plant, other rats were used on gestational day 4 for the evaluation of morphological analyses before embryo implantation. P < 0.05 was considered as statistically significant. RESULTS: The S. pseudoquina treatment showed elevated liver enzymatic activities. The Treated 300 group presented toxicity with reduced maternal body weight, water and food intake, and increased kidney relative weight compared to those of the Control group. At a high dosage, the plant presents an abortifacient activity, confirmed by embryo losses before and after implantation and degenerated blastocysts. In addition, the treatment contributed to an increased percentage of fetal visceral anomalies, decreased ossification sites, and intrauterine growth restriction (300 mg/kg dose). CONCLUSION: In general, our study showed that an aqueous extract of S. pseudoquina bark caused significant abortifacient activity that testified to its traditional use. Furthermore, the S. pseudoquina extract caused maternal toxicity that contributed to impaired embryofetal development. Therefore, the use of this plant should be completely avoided during pregnancy to prevent unintended abortion and risks to maternal-fetal health.

In vitro antimicrobial studies of some major bioactive compounds isolated from Strychnos innocua (Delile) root bark.

Plant based therapies are very essential in modern medicine, and have long been used to cure and prevent chronic diseases in many parts of the world. Medicinal herbs have been shown to have biological properties due to the presence of active compounds. Strychnos innocua, a medicinal plant from Loganiaceae, is commonly consumed for medicinal purposes in various African countries. The need to assess the usefulness of the plant's root bark in the treatment of disease spurred this study, which involved the isolation of six bioactive compounds and screening for antimicrobial properties against some pathogens using the agar well diffusion method. Chromatography separation led to first time isolation of Umbelliferone (1), Linalool (2), Nerolidol (3), Campesterol (4), ß-sitosterol (5), and 2,13-Octadecadien-1-ol (6). GC-MS and NMR spectra, as well as comparisons with published data, were used to determine their structures. The compounds exhibited strong antimicrobial activity comparable to ciprofloxacin and fluconazole against MRSA, B. subtilis, S. pyogenes, S. aureus, K. pneumoniae, E. coli, P. aeruginosa, S. typhii, A. fumigatus, C. albicans, C. krusei, and A. nigre. The MIC as well as the MBC/MFC were determined. In conclusion, the compounds (1 - 6) isolated from S. innocua root bark have remarkable antibacterial action against pathogenic microbes.

In silico modelling and NMR Characterization of some steroids from Strychnos innocua (Delile) root bark as potential antifungal agents.

The root bark of Strychnos innocua has long been employed by traditional healers to treat a variety of ill health conditions including fungal infections. The objective of this study was to isolate, characterized and evaluate the antifungal potential (insilico approach) of some steroids from root bark of S. innocua. Conventional method of column chromatography was carried out on the ethyl acetate root bark extract of S. innocua, leading to the isolation of two steroids. On the basis of 1D NMR, 2D NMR, GC-ESI/MS analyses, and literature comparisons, the compounds were characterized as Stigmast-5-en-3ß-ol (1) and Campest-5-en-3ß-ol (2). This is the first time these compounds have been isolated from the plant. The results of the in silico modelling of the compounds 1, 2, and fluconazole (control drug) with the binding sites of SAP2 from Candida albicans (PDB: 1EAG) demonstrated that the binding energies were -8.3, -8.0, and -7.1 kcal/mol, respectively. However, the modelling with binding sites of a deglycating enzyme fructosamine oxidase from Aspergillus fumigatus (PDB: 3DJE) demonstrated that the binding energies were -5.9, -7.2, and -8.0 for Stigmast-5-en-3ß-ol (1) and Campest-5-en-3ß-ol (2), and fluconazole, respectively. In conclusion, the study found that Stigmast-5-en-3-ol and Campest-5-en-3-ol are both present in the root bark of S. innocua. The compounds exhibited promising interaction with the binding sites of the protein target (SAP2 from C. albicans) compare to fluconazole.

Lasso-Logistic regression model for the identification of serum biomarkers of neurotoxicity induced by strychnos alkaloids.

As a traditional Chinese medicine, strychnos alkaloids have wide effects including antitumor, analgesic, and anti-inflammatory. However, the therapeutic window of strychnos alkaloids is quite narrow due to potential neurotoxicity. Therefore, it is necessary to explore some efficient biomarkers to identify and predict the neurotoxicity induced by strychnos alkaloids and find a therapy to prevent the neurotoxicity of strychnos alkaloids. Based on the previous studies of our research team, 21 endogenous substances related to neurotoxicity were monitored in rats' serum with HPLC-MS/MS and ELISA. Starting from these fundamentals, a Lasso-Logistic regression model was used to select efficient biomarkers from 21 endogenous substances to predict brain injury and verify the neuroprotective effect of peonies. Under the processing of the Lasso-Logistic regression model, 12 biomarkers were identified from 21 endogenous substances to predict the neurotoxicity induced by strychnos alkaloids. At the same time, the neuroprotective effect of peonies was further confirmed by evaluating the level of 12 biomarkers. The results indicated that the development of the Lasso-Logistic regression model would provide a new, simple and efficient method for the prediction and diagnosis of the neurotoxicity induced by strychnos alkaloids.

Antimalarial Efficacy of Aqueous Extract of Strychnos ligustrina and Its Combination with Dihydroartemisinin and Piperaquine Phosphate (DHP) against Plasmodium berghei Infection.

The development of drug resistance is one of the most severe concerns of malaria control because it increases the risk of malaria morbidity and death. A new candidate drug with antiplasmodial activity is urgently needed. This study evaluated the efficacy of different dosages of aqueous extract of Strychnos ligustrina combined with dihydroartemisinin and piperaquine phosphate (DHP) against murine Plasmodium berghei infection. The BALB/c mice aged 6-8 weeks were divided into 6 groups, each consisting of 10 mice. The growth inhibition of compounds against P. berghei was monitored by calculating the percentage of parasitemia. The results showed that the mice receiving aqueous extract and combination treatment showed growth inhibition of P. berghei in 74% and 94%, respectively. S. ligustrina extract, which consisted of brucine and strychnine, effectively inhibited the multiplication of P. berghei. The treated mice showed improved hematology profiles, body weight, and temperature, as compared to control mice. Co-treatment with S. ligustrina extract and DHP revealed significant antimalarial and antipyretic effects. Our results provide prospects for further discovery of antimalarial drugs that may show more successful chemotherapeutic treatment.

Monoterpenoid indole alkaloids isolated from the stems and twigs of Strychnos cathayensis.

Seven undescribed monoterpenoid indole alkaloids, two N(4)-chloromethylation artifacts, and 10 known alkaloids were isolated from the stems and twigs of Strychnos cathayensis. The corresponding structures were elucidated via spectroscopic data interpretation and electronic circular dichroism. The absolute configuration of (17S)-12-hydroxy-11-methoxydiaboline, the major anomer of 12-hydroxy-11-methoxydiaboline, was characterized by X-ray diffraction analysis for the first time. At an intraperitoneal dose of 30 mg/kg, 12-hydroxy-11-methoxy-N(4)-chloromethyldiaboline and (-)-macusine A exhibited potential analgesic effects with prolongation rates of 99% and 47% for the latency time of hind-paw licking, respectively, compared to the blank control. 12-Hydroxy-11-methoxydiaboline, 12-hydroxy-11-methoxydiaboline N(4)-oxide, retuline N-oxide, and (-)-vincosamide exhibited antiviral activity against Coxsackie virus B3 (CVB3) with IC50 values of 33.33 µM.

Exploration by molecular networking of Strychnos alkaloids reveals the unexpected occurrence of strychnine in seven Strychnos species.

INTRODUCTION: Plants of the Strychnos genus, which include about 200 species, are used for multiple traditional purposes as hunting poison, for example, and have shown interesting pharmacological properties, especially curarizing and tetanizing, but also against malaria. Many monoterpene indole alkaloids have already been isolated and identified. Among them, there is strychnine, a famous alkaloid that can cause death by asphyxiation. OBJECTIVE: Investigate alkaloidic molecular diversity from Strychnos genus using molecular networking technique and study the Strychnos genus from a chemotaxonomic point of view. MATERIAL AND METHODS: Twenty-eight different species and different plant parts were ground into powder using a grinder. The methanolic extracts were carried out using a pressurized solvent extraction and the alkaloid extract was performed manually with a separating funnel. The extracts were analyzed by HPLC-ESI(+)-Q/TOF. The data were processed using MZmine 2 software and the molecular network was generated on the GNPS platform. The study of the generated molecular network allowed the detection of various alkaloids. Among these is the famous strychnine which has been detected in 7 new Strychnos species not yet described as strychnine producers. This identification was investigated using orthogonal approaches, namely TLC, NMR, HPLC-UV and UHPLC-ESI(+)-Q/TOF analyses. The LOD by HPLC-UV of strychnine was also determined. RESULTS: Further analyses allowed to confirm the presence of strychnine in S. densiflora trunk barks but also to show the presence of strychnine with high probability in the trunk barks of S. camptoneura, S. congolana, S. boonei, and S. tchibangensis, and in the leaves of S. usambarensis. About the trunk barks of S. tricalyisoides, the probability of a strychnine content remains low. CONCLUSION: This work exemplified the efficiency of molecular networking in identifying known metabolites (major and minor alkaloids) involved in the chemotaxonomic study of plants from Strychnos genus.

Physical and nutritional properties of black monkey orange fruit and seeds: A preliminary analysis for food processing.

Strychnos madagascariensis is an underutilized South African fruit-bearing tree, with the pulp being the primary consumable component. However, the seeds hold the potential as a food source due to their high nutrient composition. The aim of this study was to determine the physical properties of S. madagascariensis fruit and seeds to aid in food processing equipment development. Fruit physical properties were determined at four progressive ripening stages, as well as the seed physical properties and mineral composition. The pulp contributed the most towards fruit composition across stages of ripeness (c 50%), followed by the rind (c 30%) and seeds (c 20%). Furthermore, significant variations in seed physical properties were observed at progressive maturity stages. The seeds showed significantly greater mineral compositions in unripe-green fruit in comparison to fruit at progressive ripening stages. The data provided may serve as a basis for the development of processing procedures and equipment and suggests that seeds of unripe-green fruit hold greater nutritional benefits.

Asymmetric Total Syntheses of Strychnos Alkaloids via Selective Fischer Indolization.

The complex structures and important biological functions of Strychnos alkaloids have attracted a great deal of attention from synthetic chemists. Herein, we describe the concise asymmetric total syntheses of the Strychnos alkaloids, (-)-dehydrotubifoline, (-)-tubifoline, and (-)-tubifolidine, as well as the formal total synthesis of (-)-strychnine. Our strategy features the construction of the common tetracyclic pyrrolo[2,3-d]carbazole structure using regioselective Fischer indolization on unsymmetrical cyclic ketones and late-stage functionalization for divergent synthesis. We developed a stepwise Fischer indolization featuring selective formation of enol triflate to solve the challenging regioselectivity problem, leading to the common tetracyclic ring skeleton in these Strychnos alkaloids. The regioselectivity of Fischer indolization on unsymmetrical cyclic ketones was studied on the basis of different types of ring systems and supported by density functional theory calculations. Overall, our success in the construction of this tetracyclic ring secured the syntheses of Strychnos alkaloids and may provide a general method for the total syntheses of various alkaloids containing this skeleton.

Antioxidant and cytoprotective properties of loganic acid isolated from seeds of Strychnos potatorum L. against heavy metal induced toxicity in PBMC model.

Present work carried out with the objectives to isolate active component of S. potatorum and also to evaluate its free radical scavenging activity and preventing capacity against heavy metal toxicity. Solvents of different polarity were used to prepare crude extracts of S. potatorum seeds and screened for antioxidant activity. Among the crude extracts, methanolic extract was found to exhibit higher antioxidant activity (81.22%) which was fractionated by liquid-liquid partitioning method. Among the different fractions (LF1-LF4), LF-2 showed higher antioxidant activity (98.24%) as compared to other three liquid fractions and hence LF-2 was further purified by column chromatography. Among nine column fractions (CF1-CF9), fraction CF-7 was found to have higher antioxidant activity (92.14%), which was further analyzed using LC-MS and NMR and identified as loganic acid. In vitro radical scavenging assays showed remarkable antioxidant activity of loganic acid in terms of DPPH scavenging (IC50 149 µg/ml), superoxide radical scavenging (IC50 632.43 µg/ml) and hydroxyl radical scavenging (IC50 29.78 µg/ml). Loganic acid exhibited 81% prevention of heavy metal toxicity through the mechanism of inhibiting ROS generation (2046 AU vs. 5264 AU in control) and lipid peroxidation (95.01%). Thus, the active compound (loganic acid) isolated from S. potatorum has strong free radical scavenging activity and remarkable cyto-protective effect against heavy metal mediated toxicity.

Health benefits and biological activities of spiny monkey orange (Strychnos spinosa Lam.): An African indigenous fruit tree.

ETHNOPHARMACOLOGICAL RELEVANCE: Spiny monkey orange (Strychnos spinosa Lam.) is an African endemic fruit tree that is widely consumed by humans and animals for its nutritional value. In folk medicine, different parts of S. spinosa are widely used for the management of the health and well-being of humans and livestock. AIM: We provide a critical appraisal on the ethnobotanical uses, nutritional and pytochemical as well as the biological activities of S. spinosa. METHODS: Articles were mined from online databases such as Google Scholar, PubMed, Science Direct, SciELO and SpringerLink. We captured research outputs that aligned with the scope of the review. RESULTS: Strychnos spinosa remains a commonly consumed fruit due to its high nutritional (e.g. carbohydrates, crude protein and fats) content and energy. In folk medicine, different parts of S. spinosa are prescribed as remedy for diverse medical conditions especially for treating malaria, diabetes, snakebites, skin-related conditions and sexually transmitted infections in humans as well as sleeping sickness in livestock. Together with essential oils, more than 25 compounds have been profiled using Gas chromatography-mass spectrometry (GC-MS), and approximately 45 compounds have been isolated and structurally elucidated using diverse spectroscopic techniques such as UV-visible, Infrared (IR), Nuclear Magnetic Resonance (NMR) and mass spectroscopy (MS). Strychnos spinosa exerts varying degrees of biological activities against different microorganisms (bacteria and fungi) and parasites (plasmodia, trypanosomes and ticks) responsible for many diseases in humans and livestock. Furthermore, low to moderate enzyme-inhibitory effects of S. spinosa extracts suggest its ability to mitigate pains, inflammations and diabetics as well as snakebite venom. Increasing evidence from the in vivo studies support the use of the plant as a popular remedy for managing diabetics in folk medicine. The low cytotoxic effect of the plant extracts against different cell lines could be an indication of its relative safety. CONCLUSION: Strychnos spinosa exhibits various health-promoting benefits due to its diverse nutritional and phytochemical constituents. Given that the majority of the existing evidence on these aforementioned therapeutic properties and safety are in vitro-based, the clinical significance of these results remain limited.

Aspidosperma and Strychnos alkaloids: Chemistry and biology.

Of Nature's nearly 3000 unique monoterpene indole alkaloids derived from tryptophan, those members belonging to the Aspidosperma and Strychnos families continue to impact the fields of natural products (i.e., isolation, structure determination, biosynthesis) and organic chemistry (i.e., chemical synthesis, methodology development) among others. This review covers the biological activity (Section 2), biosynthesis (Section 3), and synthesis of both classical and novel Aspidosperma (Section 4), Strychnos (Section 5), and selected bis-indole (Section 6) alkaloids. Technological advancements in genetic sequencing and bioinformatics have deepened our understanding of how Nature assembles these intriguing molecules. The proliferation of innovative synthetic strategies and tactics for the synthesis of the alkaloids covered in this review, which include contributions from over fifty research groups from around the world, are a testament to the creative power and technical skills of synthetic organic chemists. To be sure, Nature-the Supreme molecular architect and source of a dazzling array of irresistible chemical logic puzzles-continues to inspire scientists across multiple disciplines and will certainly continue to do so for the foreseeable future.

Modelling of adsorption of anionic azo dye using Strychnos potatorum Linn seeds (SPS) from aqueous solution with artificial neural network (ANN).

Synthetic dyes used in the textile and paper industries pose a major threat to the environment. In the present research work, the adsorption efficiency of the natural adsorbent Strychnos potatorum Linn (Fam: Loganiaceae) seeds were examined against the reactive orange-M2R dye from aqueous solution by varying the process conditions such as contact time, pH, adsorbent dosage, and initial dye concentration on adsorption of anionic azo dye. This study compares different types of artificial neural networks which are feedforward artificial neural network (FANN) and nonlinear autoregressive exogenous (NARX) model to predict the efficiency of a cost-effective natural adsorbent Strychnos potatorum Linn seeds on removing reactive orange-M2R dye from aqueous solution. Twelve training algorithms of neural network were compared, and the prediction on the adsorption performance of anionic azo dye from aqueous solution using Strychnos potatonum Linn seeds was evaluated by using the root mean squared error (RMSE), mean absolute error (MAE), coefficient of determination (R2), and accuracy. For FANN model, Levenberg-Marquardt (LM) backpropagation with 19 hidden neurons was selected as the optimum FANN model, with R2 of 0.994 and accuracy of 87.20%, 98.21%, and 66.60% for training, testing, and validation datasets, respectively. For NARX model, LM with 8 hidden neurons was selected as the most suitable training algorithm, with R2 value of more than 0.99 and accuracy of 88.00%, 90.91%, and 75.00% for training, testing, and validation datasets, respectively. NARX model accurately predicted the adsorption of anionic azo dye from aqueous solution using Strychnos potatonum Linn seeds with better performance than FANN model.

Comparison of the antidepressant like activity of homeopathic remedies (Argentum nitricum, Staphysagria and Ignatia amara) and their effect on the behavior of rodents.

The majority of the world population suffers from mental and behavioral disorder. It is the need of the time to find an alternate of presently available medicines in order to decrease the medical expense. Homeopathic remedies are available and prescribed by homeopaths for treatment of anxiety and depression. Unfortunately, no data are available that proves its potential to relieve mental illness. The current study is designed to assess neuro behavioral and antidepressant like effects of homeopathic remedies Staphysagria, Argentum nitricum and Ignatia amara in comparison with standard drug (escitalopram). Different neuro behavioral activities were analyzed. The animals were administered the doses of all homeopathic remedied (60 µl to the rats) and escitalopram (0.042 mg to rats) through the oral route. The activities were observed on day 30th and day 60th. Our result suggests that the swimming time in Staphysagria treated group were significantly improved (p<0.001) after day 60th and significance rise was observed (p<0.01) in Ignatia amara treated animals, whereas significant decline (p<0.05) in struggling time was observed in Argentum nitricum administered animals after the 60th day as compared to 30th day. The central square crossings were improved highly significantly (p<0.001) after the 30th day dosing, by all three remedies and peripheral squares crossing were found highly significantly increased (p<0.001) after chronic dosing in Staphysagria and Ignatia amara treated groups. It is concluded from the results that all three homeopathic remedies produce comparable effects like standard drug while among all three remedies Staphysagria possess a potent antidepressant activity. To the best of our knowledge the current study reports first time the anti-depressant potential of homeopathic remedies in rodents.

Enantioselective Syntheses of Strychnos and Chelidonium Alkaloids through Regio- and Stereocontrolled Cooperative Catalysis.

We describe enantioselective syntheses of strychnos and chelidonium alkaloids. In the first case, indole acetic acid esters were established as excellent partner nucleophiles for enantioselective cooperative isothiourea/Pd catalyzed α-alkylation. This provides products containing indole-bearing stereocenters in high yield and with excellent levels of enantioinduction in a manner that is notably independent of the N-substituent. This led to concise syntheses of (-)-akuammicine and (-)-strychnine. In the second case, the poor performance of ortho-substituted cinnamyl electrophiles in the enantioselective cooperative isothiourea/Ir catalyzed α-alkylation was overcome by appropriate substituent choice, leading to enantioselective syntheses of (+)-chelidonine, (+)-norchelidonine, and (+)-chelamine.

Common Strategy for the Synthesis of Some Strychnos Indole Alkaloids.

Indole alkaloids are important natural compounds with interesting bio-activities that can be found in various species belonging to the Amaryllidaceae, Apocynaceae, or Strychnaceae families. Although these compounds have different connections, substituents, and functionalities, their main core can be produced via the formation of a common functionalized tetracyclic subunit, which is rapidly obtained by an oxidative de-aromatization process mediated by a hypervalent iodine reagent from an inexpensive phenol containing a lactate moiety as the chiral auxiliary. A subsequent stereoselective aza-Michael addition and an intramolecular Heck-type reaction lead to the formation of a common key intermediate. This approach provides a solid foundation for the further elaborations of several natural products. The asymmetric syntheses of (-)-strychnopivotine and the polycyclic main cores of (-)-strychnosplendine, (+)-isosplendine, and (+)-malagashanol, three other indole alkaloids, are reported.

Recent progress in the total synthesis of Strychnos alkaloids.

The fascinating structure of Strychnos alkaloids has evoked immense synthetic interest from the chemical community since the landmark synthesis of strychnine by Woodward. After that, the pursuit of the total synthesis of Strychnos alkaloids has never stopped. In this context, the synthesis of strychnine has become a benchmark for the evaluation of new synthetic strategies. Furthermore, the characteristic structure of these alkaloids has also served as an inspiration for the development of novel synthetic methodologies, which provide new synthetic strategies for the synthesis of Strychnos alkaloids. In this article, the recent progress in the total synthesis of Strychnos alkaloids since 2011 is reviewed, including successful total syntheses and synthetic efforts toward Strychnos alkaloids. According to the key feature employed in the synthesis, the content was categorized into novel synthetic methodologies and innovative strategies based on well-documented methodologies.

The 1 H and 13 C NMR chemical shifts of Strychnos alkaloids revisited at the DFT level.

The density functional theory calculation of 1 H and 13 C NMR chemical shifts in a series of ten 10 classically known Strychnos alkaloids with a strychnine skeleton was performed at the PBE0/pcSseg-2//pcseg-2 level. It was found that calculated 1 H and 13 C NMR chemical shifts provided a markedly good correlation with experiment characterized by a mean absolute error of 0.08 ppm in the range of 7 ppm for protons and 1.67 ppm in the range of 150 ppm for carbons, so that a mean absolute percentage error was as small as ~1% in both cases.