GreenMolBD: Nature Derived Bioactive Molecules' Database

2021 ◽  
Vol 18 ◽  
Author(s):  
S. M. Zahid Hosen ◽  
Md. Junaid ◽  
Muhammad Shaiful Alam ◽  
Maruf Rubayed ◽  
Raju Dash ◽  
...  

Aims: One of the most important resources for the development of new drugs is a biologically active lead compound from natural sources. Biomedical researchers and pharmaceutical companies have a high interest in plant-derived molecules that can be used for drug development. Background: The collective knowledge of plants and their phytoconstituents would be of great benefit for the researchers involved in drug design. Therefore, we developed a unique and dynamic database GreenMolBD, to provide collective information of medicinal plants such as their individual profile, chemical constituents and pharmacological evidence, along with their plant parts and extract types based on different studies. Objective: We have also provided a complete profile of each compound, their physical, quantum, drug-likeliness, and toxicity properties (48 type’s descriptor) using in silico tools. Method: 1846 associated targets, related to individual compounds that are already explored in different studies, are also incorporated and synchronized. Result: GreenMolBD is freely accessible and searchable by keywords, plant name, synonym, common name, family name, family synonym, compound name, synonym, IUPAC name, InChI Key, target name and disease name. Conclusion: This is the first evidence-based database of bioactive molecules from medicinal plants specially grown in Bangladesh, which may help to explore and foster nature-inspired rational drug discovery in the future. Our database is continuously updating with the new information.

2020 ◽  
Vol 18 ◽  
Author(s):  
Mulugeta Mulat ◽  
Fazlurrahman Khan ◽  
Archana Pandita

Background: Medicinal plants have been used for treatments of various health ailments and the practices as a remedial back to thousands of years. Currently, plant-derived compounds used as alternative ways of treatment for multidrug-resistant pathogens. Objective: In the present study, various parts of six medical plants such as Solanum nigrum, Azadirachta indica, Vitex negundo, Mentha arvensis, Gloriosa superba, and Ocimum sanctum were extracted for obtaining biological active constituents. Methods: Soxhlet method of extraction was used for obtaining crude extracts. Agar disc diffusion and 96-well plate spectroscopic reading were used to detect the extract’s antibacterial and antibiofilm properties. Results: The obtained extracts were tested for antimicrobial and antibiofilm properties at 25 mg/mL concentrations. Maximum antibacterial activity was observed in O. sanctum chloroform extract (TUCE) against Staphylococcus aureus (24.33±1.52 mm), S. nigrum acetone extract (MAAC) against Salmonella Typhimurium (12.6 ± 1.5 mm) and Pseudomonas aeruginosa (15.0 ±2.0 mm). Only TUCE exhibited antibacterial activity at least a minimum inhibitory concentration of 0.781 mg/mL. Better antibiofilm activities were also exhibited by petroleum extracts of G. superba (KAPE) and S. nigrum (MAPE) against Escherichia coli, S. Typhimurium, P. aeruginosa and S. aureus. Moreover, S. nigrum acetone extract (MAAC) and O. sanctum chloroform extract (TUCE) were showed anti-swarming activity with a reduction of motility 56.3% against P. aeruginosa and 37.2% against S. aureus. MAAC also inhibits Las A activity (63.3% reduction) in P. aeruginosa. Conclusion: Extracts of TUCE, MAAC, MAPE, and KAPE were exhibited antibacterial and antibiofilm properties against the Gram-positive and Gram-negative pathogenic bacteria. GCMS identified chemical constituents are responsible for being biologically active.


BIBECHANA ◽  
2020 ◽  
Vol 17 ◽  
pp. 67-74
Author(s):  
Narendra Kumar Chaudhary ◽  
Rijan Ojha ◽  
Tilak Prasad Gautam

Ethnobotany gives the basic idea about the medicinal properties of plants. Identification of active compounds of the medicinal plants and their standardization is essential for the production of new drugs. In the present work, different parts of the five medicinal plants (Curcuma caesia, Costus speciosus, Drymaria cordata, Leea macrophylla, Plumbago zeylanica) were washed, air dried and crushed. Three different extracts of each powdered material were prepared and standard phytochemical analysis procedure was followed for the analysis of physicochemical properties of plants and the identification of active chemical constituents. Among 5 plants, the highest moisture content (14.83%) was found in Plumbago zeylanica, higher total ash (9.22%) and acid insoluble ash (4.43%) were observed in Cucurma caesia. Phytochemical analysis revealed the presence of 12 varieties of bioactive chemicals in the 5 different plants. The plants of the area have great diversity of phytochemicals of numerous medicinal properties. In conclusions, these five important medicinal plants could be useful for the people of the locality to cure several diseases as well as to generate the source of income. BIBECHANA 17 (2020) 67-74


2020 ◽  
Vol 8 (2) ◽  
pp. 133-146
Author(s):  
Anastasia A. Orlova ◽  
Maria N. Povydysh

The aim of the study is to review the literature data on the chemical constituents of arial and underground parts of Geum rivale L. (Rosaceae) and the pharmacological activity of its extracts and individual compounds.Materials and methods. The study was carried out using Internet resources (Google Scholar, PubMed) and library databases (e-Library, Scopus, Web of Science). The main research methods were a review and analysis of the literature data on the topic for the period from 1958 up to the present.Results. For the period from 1958 up to the present more than 80 components in the arial and underground parts of G. rivale have been identified.  Among them there were components of the essential oil, phenolic acids and coumarins, aglycones of flavonoids, including luteolin, apigenin, quercetin and kaempferol, as well as a number of their glycosides and glucuronides, ellagitannins (hemin A, B, C, D, pedunculagin, stachiurin/casuarinin, tellimagrandin I). Some aspects of the pharmacological activity of total extracts and individual secondary metabolites of G. rivale have been studied, anti-inflammatory, antioxidant, antimicrobial, antiviral activities have been experimentally confirmed.Conclusion. The analysis of the literature data showed that a further study of the composition of metabolites of G. rivale and their pharmacological activity is an urgent task, the solution of which will expand the range of use of this plant in medical practice and consider G. rivale as a promising source of pharmaceutical substances for the creation of new drugs and biologically active additives.


2016 ◽  
Vol 23 (4) ◽  
pp. 225-232
Author(s):  
M. Singhadiya ◽  
Isha Pandey ◽  
Vinod Maina ◽  
R. Pandey ◽  
Peddy Harikrishna

The present study deals with 26 ethnomedicinal plant species belonging to 17 families used as antipsoriatic by the indigenous people in Rajasthan. The study also deals with types of Psoriasis, plant name, local name, family name, plant parts and mode in the treatment of psoriasis. The present study also gathered important information about traditional knowledge and the need to document, research and development of new drugs to fight against Psoriasis disease in Rajasthan in particular and India as a whole.


2016 ◽  
Vol 46 (4) ◽  
pp. 345-354 ◽  
Author(s):  
Alexandre Batista PENIDO ◽  
Selene Maia de MORAIS ◽  
Alan Bezerra RIBEIRO ◽  
Ana Zélia SILVA

ABSTRACT The study of medicinal plants reveals locally important plant species often useful for the discovery of new drugs. The objective of this research was to conduct an ethnobotanical survey of medicinal plants used by the population of the Imperatriz city, State of Maranhão, Northeastern Brazil. Two hundred and five interviews were conducted, resulting in the collection of 60 plant species from 31 plant families. The highest number of species belongs to Fabaceae, followed by Lamiaceae, Asteraceae and Euphorbiaceae. The most reported species were Chenopodium ambrosioides, Myracrodruon urundeuva, Lippia alba, and Plectranthus barbatus. The main plant parts used were leaves (63.3%), bark (16.7%), fruits (6.7%), roots (6.7%), seeds (3.3), stems (1.7%) and latex (1.7%). Major administration routes were by oral (81.7%) or nasal via (1.6%) and topical application (16.7%) The plants were used to mitigate various health problems including pain, asthma, hypertension, gastritis, inflammation, influenza, and tuberculosis. The collected data shows that local population uses medicinal plants for treatment of several diseases and this study can serve as a basis for future chemical and pharmacological investigation, which can lead to the discovery of new therapeutic agents.


Plants ◽  
2019 ◽  
Vol 8 (11) ◽  
pp. 477 ◽  
Author(s):  
Qasaymeh ◽  
Rotondo ◽  
Oosthuizen ◽  
Lall ◽  
Seidel

Tuberculosis (TB), caused by Mycobacterium tuberculosis, is a growing public health concern worldwide, especially with the emerging challenge of drug resistance to the current drugs. Efforts to discover and develop novel, more effective, and safer anti-TB drugs are urgently needed. Products from natural sources, such as medicinal plants, have played an important role in traditional medicine and continue to provide some inspiring templates for the design of new drugs. Protein kinase G, produced by M. tuberculosis (MtPKnG), is a serine/threonine kinase, that has been reported to prevent phagosome-lysosome fusion and help prolong M. tuberculosis survival within the host’s macrophages. Here, we used an in silico, target-based approach (docking) to predict the interactions between MtPknG and 84 chemical constituents from two medicinal plants (Pelargonium reniforme and Pelargonium sidoides) that have a well-documented historical use as natural remedies for TB. Docking scores for ligands towards the target protein were calculated using AutoDock Vina as the predicted binding free energies. Ten flavonoids present in the aerial parts of P. reniforme and/or P. sidoides showed docking scores ranging from -11.1 to -13.2 kcal/mol. Upon calculation of all ligand efficiency indices, we observed that the (-G/MW) ligand efficiency index for flavonoids (4), (5) and (7) was similar to the one obtained for the AX20017 control. When taking all compounds into account, we observed that the best (-G/MW) efficiency index was obtained for coumaric acid, coumaraldehyde, p-hydroxyphenyl acetic acid and p-hydroxybenzyl alcohol. We found that methyl gallate and myricetin had ligand efficiency indices superior and equal to the AX20017 control efficiency, respectively. It remains to be seen if any of the compounds screened in this study exert an effect in M. tuberculosis-infected macrophages.


2016 ◽  
Vol 2016 ◽  
pp. 1-12 ◽  
Author(s):  
Md. Nur Kabidul Azam ◽  
Md. Mizanur Rahman ◽  
Samanta Biswas ◽  
Md. Nasir Ahmed

Cancer is a group of diseases which is categorized to differentiate into diverse cell types and move around in the body to sites of organogenesis that is key to the process of tumor genesis. All types of cancer fall into the group of malignant neoplastic diseases. In Bangladesh, cancer is now one of the foremost killer diseases and its personal, social, and economic bearing are huge. Plant-derived natural compounds (vincristine, vinblastine, etoposide, paclitaxel, camptothecin, topotecan, and irinotecan) are useful for the treatment of cancer. Since there is no extensive ethnobotanical research study in Bangladesh regarding the traditional uses of medicinal plants against neoplasms, therefore, a randomized ethnopharmacological surveys were carried out in 3 districts of Bangladesh to learn more about the usage of anticancer medicinal plants and their chemical constituents having antineoplastic activity. Comprehensive interviews were conducted to the folk medicine practitioners and medicinal plants as pointed out by them were photographed, collected, deposited, and identified at the Bangladesh National Herbarium. The various plant parts have been used by the healers which included whole plant, leaves, fruits, barks, roots, and seeds. This study evaluated considerable potential for discovery of novel compounds with less side effects in the management and prevention of malignancy in cancer.


2021 ◽  
Author(s):  
Shan Jin ◽  
Shanshan Zhang ◽  
Nasir Shad ◽  
Abid Naeem ◽  
Yandeng Yang ◽  
...  

Abstract BackgroundLingchuan County is the main producing area of Chinese medicinal materials in Shanxi Province, rich in medicinal plant resources. The aboriginal residents of Lingchuan County have certain traditional knowledge and experience in the use of medicinal plants and can effectively use medicinal plants to treat common diseases. MethodologyA field survey in 53 villages was carried out over one year, i.e., November 2017—August 2018. Ethnomedicinal data was collected through designed questionaries/interviews by involving 180 informants familiar with medicinal plants utilization. Documented data were evaluated using the quantitative indices. ResultsA total of 138 traditional medicinal plants were investigated, belonging to 123 genera of 60 families. Among them, Asteraceae was the dominant plant family with 19 species. Roots were the most commonly used plant parts, and the dominant life form was herbs. Quantitative analysis revealed that Forsythia suspensa was with higher (0.33) RFC value, and Scutellaria baicalensis was recorded with higher (0.91) UV. Treated diseases were categorized in 12 groups and evaluated by their FIC value, in which gynecological diseases having higher (0.93) FIC value followed by urinary system diseases. The most medicinal plants are used to clear away heat and relieve the surface. At the same time, people use boiled water to use medicinal plants. Most of the plants investigated are non-toxic. ConclusionThis study reported traditional herbal medicines for the first time to be used against various disorders in Lingchuan County, China and are still practiced by the local communities. Some of the new ethnobotanical claims documented in this investigation should need to be further explored clinically. The medicinal plants with the highest use values recorded in this study may signpost the probable existence of valuable phytochemical compounds that requires a search for prospective new drugs to cure many human disorders.


2014 ◽  
Vol 2014 ◽  
pp. 1-15 ◽  
Author(s):  
Luara de Sousa Monteiro ◽  
Katherine Xavier Bastos ◽  
José Maria Barbosa-Filho ◽  
Petrônio Filgueiras de Athayde-Filho ◽  
Margareth de Fátima Formiga Melo Diniz ◽  
...  

Lung cancer is a disease with high morbidity and mortality rates. As a result, it is often associated with a significant amount of suffering and a general decrease in the quality of life. Herbal medicines are recognized as an attractive approach to lung cancer therapy with little side effects and are a major source of new drugs. The aim of this work was to review the medicinal plants and other living organisms with antitumor potential against lung cancer. The assays were conducted with animals and humans, and Lewis lung carcinoma was the most used experimental model. China, Japan, South Korea, and Ethiopia were the countries that most published studies of species with antitumor activity. Of the 38 plants evaluated, 27 demonstrated antitumor activity. In addition, six other living organisms were cited for antitumor activity against lung cancer. Mechanisms of action, combination with chemotherapeutic drugs, and new technologies to increase activity and reduce the toxicity of the treatment are discussed. This review was based on the NAPRALERT databank, Web of Science, and Chemical Abstracts. This work shows that natural products from plants continue to be a rich source of herbal medicines or biologically active compounds against cancer.


2012 ◽  
Vol 7 (10) ◽  
pp. 1934578X1200701
Author(s):  
Indrek Remmel ◽  
Lauri Vares ◽  
Lauri Toom ◽  
Vallo Matto ◽  
Ain Raal

Epilobium species have been traditionally used as medicinal plants to treat benign prostate hyperplasia. The present study investigated the content of polyphenols, tannins, and flavonoids in Epilobium parviflorum Schreb., E. hirsutum L., E. adenocaulon Hausskn., E. montanum L., and E. palustre L. growing in Estonia. The total contents of polyphenols, tannins, and flavonoids were studied using UV spectroscopy with subsequent HPLC quantification of gallic acid, ellagic acid, and quercetin as marker compounds. All roots, stems, leaves, and flowers of the plants investigated contained comparable amounts of polyphenols, tannins, and flavonoids. There was a clear positive correlation between the contents of tannins and flavonoids in various plant parts. The content of these biologically active compounds suggests the use of E. parviflorum, E. hirsutum, E. adenocaulon, E. montanum, and E. palustre collected from Estonia as herbs both individually or as a blend.


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