scholarly journals Molecular docking and ADME-toxicity studies of potential compounds of medicinal plants grown in Indonesia as an anti-rheumatoid arthritis

2017 ◽  
Author(s):  
Rizki Awaluddin ◽  
Wildan Khairi Muhtadi ◽  
Lutfi Chabib ◽  
Zullies Ikawati ◽  
Ronny Martien ◽  
...  
Keyword(s):  
Rheumatoid Arthritis ◽  
Molecular Docking ◽  
Medicinal Plants ◽  
Toxicity Studies

A survey of medicinal plants used to treat rheumatoid arthritis in two northern districts of Bangladesh

Planta Medica ◽  
2009 ◽  
Vol 75 (09) ◽  
Author(s):  
F Rahman ◽  
S Hossan ◽  
AH Mollik ◽  
R Jahan ◽  
M Rahmatullah
Keyword(s):  
Rheumatoid Arthritis ◽  
Medicinal Plants

Medicinal plants used against rheumatoid arthritis by traditional medicinal practitioners of Bangladesh

Planta Medica ◽  
2009 ◽  
Vol 75 (09) ◽  
Author(s):  
AH Mollik ◽  
S Hossan ◽  
T Islam ◽  
R Jahan ◽  
M Rahmatullah
Keyword(s):  
Rheumatoid Arthritis ◽  
Medicinal Plants

Rheumatoid Arthritis: History, Stages, Epidemiology, Pathogenesis, Diagnosis and Treatment

2017 ◽  
Vol 9 (02) ◽  
Author(s):  
Abeer Fauzi Al-Rubaye ◽  
Mohanad Jawad Kadhim ◽  
Imad Hadi Hameed
Keyword(s):  
Rheumatoid Arthritis ◽  
Medicinal Plants ◽  
Systemic Disease ◽  
Modern Medicine ◽  
Whole Body ◽  
Internal Organs ◽  
Synthetic Drugs ◽  
Relieve Pain ◽  
Medicinal Treatment ◽  
Natural Drugs

The pharmacological mechanisms of the medicinal plants traditionally used for RA in Persian medicine are discussed in the current review. Further investigations are mandatory to focus on bioefficacy of these phytochemicals for finding novel natural drugs. Rheumatoid arthritis is chronic, progressive, disabling autoimmune disease characterized by systemic inflammation of joints, damaging cartilage and bone around the joints. It is a systemic disease which means that it can affect the whole body and internal organs such as lungs, heart and eyes. Although numbers of synthetic drugs are being used as standard treatment for rheumatoid arthritis but they have adverse effect that can compromise the therapeutic treatment. Unfortunately, there is still no effective known medicinal treatment that cures rheumatoid arthritis as the modern medicine can only treat the symptoms of this disease that means to relieve pain and inflammation of joints. It is possible to use the herbs and plants in various forms in order to relieve the pain and inflammation in the joints. There are so many medicinal plants that have shown anti rheumatoid arthritis properties. So the plants and plant product with significant advantages are used for the treatment of rheumatoid arthritis. The present review is focused on the medicinal plants having anti rheumatoid arthritis activity

scholarly journals A phytochemical-based medication search for the SARS-CoV-2 infection by molecular docking models towards spike glycoproteins and main proteases

RSC Advances ◽  
2021 ◽  
Vol 11 (20) ◽  
pp. 12003-12014
Author(s):  
Anju Choorakottayil Pushkaran ◽  
Prajeesh Nath EN ◽  
Anu R. Melge ◽  
Rammanohar Puthiyedath ◽  
C. Gopi Mohan
Keyword(s):  
Molecular Docking ◽  
Medicinal Plants ◽  
Viral Infection ◽  
Bioactive Phytochemicals

Identifying best bioactive phytochemicals from different medicinal plants using molecular docking techniques demonstrates a potential pre-clinical compound discovery against SARS-CoV-2 viral infection.

scholarly journals Prediction of Anti-COVID 19 Therapeutic Power of Medicinal Moroccan Plants Using Molecular Docking

2021 ◽  
Vol 15 ◽  
pp. 117793222110091
Author(s):  
Badreddine Nouadi ◽  
Abdelkarim Ezaouine ◽  
Mariame El Messal ◽  
Mohamed Blaghen ◽  
Faiza Bennis ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Medicinal Plants ◽  
Drug Target ◽  
Cost Effective ◽  
Current Medical Research ◽  
New Drugs ◽  
Binding Affinities ◽  
Global Public Health ◽  
Public Health Challenge ◽  
Ucsf Chimera

The emerging pathogen SARS-CoV2 causing coronavirus disease 2019 (COVID-19) is a global public health challenge. To the present day, COVID-19 had affected more than 40 million people worldwide. The exploration and the development of new bioactive compounds with cost-effective and specific anti-COVID 19 therapeutic power is the prime focus of the current medical research. Thus, the exploitation of the molecular docking technique has become essential in the discovery and development of new drugs, to better understand drug-target interactions in their original environment. This work consists of studying the binding affinity and the type of interactions, through molecular docking, between 54 compounds from Moroccan medicinal plants, dextran sulfate and heparin (compounds not derived from medicinal plants), and 3CLpro-SARS-CoV-2, ACE2, and the post fusion core of 2019-nCoV S2 subunit. The PDB files of the target proteins and prepared herbal compounds (ligands) were subjected for docking to AutoDock Vina using UCSF Chimera, which provides a list of potential complexes based on the criteria of form complementarity of the natural compound with their binding affinities. The results of molecular docking revealed that Taxol, Rutin, Genkwanine, and Luteolin-glucoside have a high affinity with ACE2 and 3CLpro. Therefore, these natural compounds can have 2 effects at once, inhibiting 3CLpro and preventing recognition between the virus and ACE2. These compounds may have a potential therapeutic effect against SARS-CoV2, and therefore natural anti-COVID-19 compounds.

Quercetin: A Potential Candidate For The Treatment Of Arthritis

2021 ◽  
Vol 21 ◽  
Author(s):  
Ahsas Goyal ◽  
Neetu Agrawal
Keyword(s):  
Rheumatoid Arthritis ◽  
Medicinal Plants ◽  
Therapeutic Potential ◽  
Gouty Arthritis ◽  
Potential Candidate ◽  
Protective Effects ◽  
Preclinical Models ◽  
Healthy Life ◽  
Health Promoting ◽  
Dietary Component

: Diet plays a significant role in ensuring healthy life and the bioactive compounds present in food and medicinal plants may be developed as drugs that combat various illnesses. A bioactive flavanoid, quercetin which is a dietary component possesses numerous health-promoting effects. In preclinical models of rheumatoid arthritis, gouty arthritis and osteoarthritis, quercetin has shown significant joint protective effects. Taking into account the significance of this compound, the present review discusses its anti-arthritic properties, demonstrating its mechanism of action for the treatment of arthritis with its therapeutic potential.

scholarly journals DESIGN AND SYNTHESIS OF SOME NEWER IMIDAZOLYL HETEROCYCLES AS POTENT BTK INHIBITORS FOR THE TREATMENT OF RHEUMATOID ARTHRITIS

2017 ◽  
Vol 9 (3) ◽  
pp. 80
Author(s):  
R. Priyadarsini ◽  
Anandhan Menaka
Keyword(s):  
Rheumatoid Arthritis ◽  
Hydrogen Bond ◽  
Molecular Docking ◽  
Tyrosine Kinase ◽  
Pharmacophore Model ◽  
Spectral Studies ◽  
Bruton’S Tyrosine Kinase ◽  
Bruton's Tyrosine Kinase ◽  
Hydrogen Bond Acceptor ◽  
Btk Inhibitors

Objective: The rheumatoid arthritis as a global health problem over the past few decades, Emphasizes the need for discovery of new therapeutic disease modifying anti-rheumatoid Arthritis drugs (DMARD’s). Bruton’s tyrosine kinase (BTK) is a cytoplasmic, non-receptor, tyrosine kinase which is expressed in most of the hematopoietic cells and plays an important role in the development, differentiation and proliferation of B-lineage cells, thus making BTK an efficient therapeutic target for the treatment of rheumatoid arthritis. This prompted us to synthesise a novel series of Imidazolyl Heterocycles as potent BTK (Bruton’s Tyrosine Kinase) inhibitors with alleged Anti-Rheumatoid Arthritis properties. Methods: Newer BTK inhibitors containing one hydrogen bond acceptor (HBA), one hydrogen bond donor (HBD) and three hydrophobic features based on that pharmacophore model for BTK were designed. The designed compounds were sorted by applying ADMET properties, Lipinski rule of five, molecular docking and Novelty prediction to refine the designed ligands. Finally, different five compounds containing Imidazole as the heterocyclic nucleus have been synthesized and characterized by different analytical methods like Chromatographic data, Elemental analysis and Spectral studies by IR, 1H NMR, 13C NMR, GC-MS. Molecular docking studies were performed against BTK using GLIDE 10.2. Results: Several important hydrogen bonds with BTK were revealed, which include the gatekeeper residue Glu475 and Met477 at the hinge region. Conclusion: Overall, this study suggests that the proposed ligands are found to be more effective BTK inhibitor as Anti-Rheumatoid arthritis agents.

scholarly journals The Study of Potential Antiviral Compounds from Indonesian Medicinal Plants as Anti-COVID-19 with Molecular Docking Approach

2021 ◽  
Vol 1 (1) ◽  
pp. 32-39
Author(s):  
Baiq Ressa Puspita Rizma ◽  
Agus Dwi Ananto ◽  
Anggit Listyacahyani Sunarwidhi
Keyword(s):  
Molecular Docking ◽  
Medicinal Plants ◽  
Virus Disease ◽  
Molecular Study ◽  
Ant System ◽  
Docking Score ◽  
Docking Approach ◽  
Rapid Transmission ◽  
Potent Drug ◽  
Potential Inhibitors

Corona Virus Disease 2019 (COVID-19) is a new strain of coronavirus called SARS-CoV-2, which was identified in Wuhan, China, in December 2019. The rapid transmission of COVID-19 from human to human forced researchers to find a potent drug by setting aside the time-consuming traditional method in drug development. The molecular docking approach is one a reliable method to screening compound from chemical drug or by finding a compound from Indonesian herbal plants. The present study aimed to assess the potency of compounds from five medicinal plants as potential inhibitors of PLpro and 3CLpro from SARS-CoV-2 using molecular study. The molecular docking was performed using Protein-Ligand Ant System (PLANTS) to analyze the potential compounds by the docking score. Remdesivir triphosphate was used as a standard for the comparison of the test compounds. The docking score obtained from the docking of PLpro with native ligand, remdesivir triphosphate, curcumin, demethoxycurcumin, bisdemethoxycurcumin, luteolin, apigenin, quercetin, kaempferol, formononetin-7-O-glucuronide, andrographolide, and neoandrographolide were -111.441, -103.827, -103.609, -102.363, -100.27, -79.6655, -78.6901, -80.9337, -79.4686, -82.1124, -79.1789, and -97.2452, respectively. Meanwhile, docking score with 3CLpro for the same ligand were -64.0074, -86.1811, -81.428, -87.1625, -78.2899, -73.4345, -70.3368, -71.5539, -68.4321, -72.0154, -75.9777, and -93.7746. The docking score data suggest that curcumin was the most potential as a PLpro inhibitor, while neoandrographolide was the best as a 3CLpro inhibitor.

scholarly journals FORMULATION AND EVALUATION OF POLYHERBAL CREAM

2020 ◽  
pp. 75-77
Author(s):  
PRASHANT CHAVAN ◽  
MALLINATH KALSHETTI ◽  
NIKHIL NAVINDGIKAR
Keyword(s):  
Rheumatoid Arthritis ◽  
Phase Separation ◽  
Medicinal Plants ◽  
Physical Parameter ◽  
Zingiber Officinale ◽  
Slab Method ◽  
Cream Formulation ◽  
Herbal Medicinal ◽  
Time Required ◽  
Evaluation Parameters

Objective: Eugenia caryophyllus, Zingiber officinale and Nyctanthes arbor-tristis are medicinal plants; these plants are used traditionally from ancient year in the various herbal medicinal system such as Ayurvedic, Homeopathic and Siddha. The clove buds of Eugenia caryophyllus, rhizomes of Zingiber officinale and dried leaves of Nyctanthes arbor-tristis have anti-inflammatory analgesic activity. The present research was focus on the formulation of polyherbal cream and their evaluation by using various evaluation parameters of the present research are to formulate polyherbal cream and to evaluate the polyherbal cream. Methods: the slab method was used for the preparation of cream. Results: The evaluation parameters are coming under this heading physical parameter like color was slightly white green, the odor was characteristics, consistency was smooth and the state was semisolid. PH of the cream was 6.5; Spreadability was 7.4g. cm/sec time required for this test was 15 sec, Washability was easily washable, the cream was nonirritant, viscosity of the formulated cream was 39010 cps and no phase separation was observed during storage of polyherbal cream. Conclusion: This cream formulation was used in rheumatoid arthritis to reduce joint pains. This cream formulation was o/w type of emulsion; hence this formulation was easily washed with plane water after application.

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