scholarly journals In Silico Targeting DENV2's Prefusion Envelope Protein by Several Natural Products' Bioactive Compounds

2021 ◽  
Vol 20 (3) ◽  
Author(s):  
Arief Hidayatullah ◽  
Wira Eka Putra ◽  
Sustiprijatno ◽  
Galuh Wening Permatasari ◽  
Wa Ode Salma ◽  
...  
Keyword(s):  
Bioactive Compounds ◽  
Envelope Protein ◽  
In Silico ◽  
Curcuma Longa ◽  
Zingiber Officinale ◽  
Viral Fusion ◽  
Tropical Regions ◽  
Kaempferia Galanga ◽  
Protein Dimer ◽  
Severe Health Problem

Dengue caused by the dengue virus (DENV) is a severe health problem in tropical regions such as Southeast Asia, especially Indonesia. Indonesian have used rhizome as traditional medicine for 1300 years. This study investigated the compounds from Kaempferia galanga, Curcuma longa, Zingiber officinale, Curcuma aeruginosa, Curcuma zanthorrhiza, Alpinia galanga, and Allium sativum as antivirals agents, explicitly targeting the DENV envelope protein to inhibit viral fusion. This study involved 121 bioactive compounds and DENV2's prefusion envelope protein. The virtual screening and molecular docking were done through occupied the Lipinski rule of five checker (http://www.scfbio-iitd.res.in/software/drugdesign/lipinski.jsp) and AutoDock Vina (https://pyrx.sourceforge.io/) respectively. The top nine compounds with the strongest binding affinity were galangin, kampferide, demetoxy curcumin, bisdemethoxycurcumin, β-selinene, 6-(hydroxymethyl)-1,4,4-trimethylbicyclo[3.1.0]hexan-2-ol, piperine, estra-1,3, 5(10)-trien-17β-ol, and curcumin. These compounds' affinity values were significantly lower, around 45-62%, than chloroquine. Most of them interact with the kl hairpin and hydrophobic pocket formed by residues Val130, Leu135, Phe193, Leu198, and Phe279of critical domains that can interfere with the conformational change and rearrangement of protein dimer in the post-fusion stage. This study suggested that the galangin, demethoxycurcumin, and bisdemethoxycurcumin are considered the most potential compounds to be developed as anti-prefusion E DENV2 low-affinity and intense interaction with those. Keywords: DENV2, envelope protein, in silico, viral fusion, viral infection

Bioactive compounds from Punica granatum, Curcuma longa and Zingiber officinale and their therapeutic potential

2008 ◽  
Vol 33 (4) ◽  
pp. 329 ◽  
Author(s):  
I. Ahmad ◽  
M. Zahin ◽  
F. Aqil ◽  
S. Hasan ◽  
M.S.A. Khan ◽  
...  
Keyword(s):  
Bioactive Compounds ◽  
Therapeutic Potential ◽  
Curcuma Longa ◽  
Zingiber Officinale ◽  
Punica Granatum

scholarly journals KAJIAN ETNOBOTANI RAMUAN PASCA MELAHIRKAN PADA MASYARAKAT ENGGANO

2018 ◽  
Vol 17 (1) ◽  
pp. 31
Author(s):  
Mohammad Fathi Royyani ◽  
Vera Budi Lestari ◽  
Andria Agusta ◽  
Oscar Efendy
Keyword(s):  
Jatropha Curcas ◽  
Curcuma Longa ◽  
Zingiber Officinale ◽  
Imperata Cylindrica ◽  
Phyllanthus Niruri ◽  
Musa Sp ◽  
Kaempferia Galanga ◽  
Depth Interview ◽  
Zingiber Officinale Roscoe ◽  
Birth Data

This research was aimed to discover the traditional knowledge of Enggano people when using plants as concoction after giving birth. Data was collected through in depth interview, open-ended, and literature studies. The results showed that Enggano people used specific plants as concoction in childbirth process. There were two types of the concoction. The first was used after giving birth to 40 days, jarak pagar or tiarak (Jatropha curcas L.). The second was used after 40 days to 60 days or after recovery, such as dukung anak (Phyllanthus niruri Linn.), kumis kucing (Orthosiphon stamineus Benth.), temu lawak (Curcuma xanthoriza Roxb.), alang-alang (Imperata cylindrica (L) P. Beauv.), banana (Musa sp.), kencur (Kaempferia galanga L.), turmeric (Curcuma longa L.), and ginger (Zingiber officinale Roscoe). Results from our literature studies confirmed the efficacy of plants used by Enggano people is scientifically acceptable. Further study on phytochemical aspects of these medicial plants is therefore required to be carried out.

scholarly journals Combination of Curcumin from Curcuma longa and Procyanidin from Tamarindus indica in Inhibiting Cyclooxygenases for Primary Dysmenorrhea Therapy: In silico study

2020 ◽  
Vol 11 (1) ◽  
pp. 7460-7467
Keyword(s):  
Binding Affinity ◽  
Bioactive Compounds ◽  
In Silico ◽  
Curcuma Longa ◽  
Complex Form ◽  
Bioactive Compound ◽  
Primary Dysmenorrhea ◽  
Tamarindus Indica ◽  
Ligand Interaction ◽  
Discovery Studio

Turmeric (Curcuma longa) and Tamarind (Tamarindus indica) are known for the anti-inflammatory and antioxidant activity. The major bioactive compound found in turmeric is curcumin, and tamarind is procyanidin. Both compounds could reduce prostaglandin concentration, leading to the reduction of primary dysmenorrhea by inhibiting COXs. This study aims to identify the interaction of tamarind and turmeric bioactive compounds as single isolated compound and complex compounds to COXs using in silico as a model study. Proteins and bioactive compounds were obtained from PDB database and Pubchem, respectively. Both proteins and ligands will be prepared using Discovery Studio Client 3.5 and PyRx 0.8. The interaction will be performed by docking using Autodock Vina in PyRx 0.8. It showed that turmeric and tamarind bioactive compounds in single isolated form have potency in inhibiting COX-1/COX-2, and both ligands bind to the catalytic site of proteins. Binding sites are surrounding the binding site of the natural substrate with an efficient binding affinity. In the complex form of turmeric-tamarind, the binding affinity is not as efficient as single compounds. However, its complex form of both compounds provides strong inhibition. This study suggested that complex forms of curcumin and procyanidin can reduce prostaglandin concentration and stabilize protein-ligand interaction lead to healing dysmenorrhea.

scholarly journals Phytocompounds of Curcuma longa extract are more effective against bacterial biofilm than pure curcumin only: An in-vitro and in-silico analysis

2021 ◽  
Vol 48 (2) ◽  
Author(s):  
Dibyajit Lahiri ◽  
◽  
Moupriya Nag ◽  
Soumik Dey ◽  
Bandita Dutta ◽  
...  
Keyword(s):  
Bioactive Compounds ◽  
In Silico ◽  
Methyl Palmitate ◽  
Curcuma Longa ◽  
Research Work ◽  
Bioactive Compound ◽  
Bacterial Biofilm ◽  
Antibiofilm Activity ◽  
Electron Microscopic ◽  
In Silico Studies

Bioactive compounds are the group of secondary metabolites of plants that have a potent impact on antimicrobial and antibiofilm agents. Although Curcuma longa (turmeric) is well known for its antimicrobial activity, the question arises if curcumin, the primary bioactive compound is only responsible for it or the synergistic and simultaneous contribution of more than one bioactive compound are responsible for this antibiofilm efficacy. The research work aims to determine the efficacy of the extract Curcuma longa has a higher potential of antimicrobial and antibiofilm activity than the purchased curcumin and standard antibiotic. Present work was initiated with GC-MS analysis of the ethanolic extract of Curcuma longa (turmeric) and showed that in addition to curcumin, methyl palmitate de-hydro zingerone had a higher percent of availability within the extract. The in-silico studies also showed that when targeted upon Gram-positive biofilm-forming protein of Staphylococcus aureus (3TIP), curcumin alone had a binding constant value of -6.33 Kcal/mol but showed a value of -17.811 Kcal/mol when acted in association with Dehydrozingerone. Similarly, the binding constant's value changed from -6.07 Kcal/mol to - 23.844 Kcal/mol, when Gram-negative biofilm-forming protein (3ZYB) of Pseudomonas aeruginosa was acted upon by curcumin only and in association with methyl palmitate, respectively. Lower minimum inhibitory concentration (MIC) and higher effectivity in reducing the bacterial quorum sensing (QS) activity of the turmeric extract than pure Curcumin indicated the higher antimicrobial and antibiofilm efficiency of the extract, respectively. This indicated clearly that the synergistic action of all the bioactive compounds imparts the antibiofilm activity of turmeric. The result was further confirmed by the scanning electron microscopic (SEM) studies, fluorescent microscopic studies, and FTIR analysis of EPS as well.

scholarly journals In silico Screening of Natural Phytocompounds Towards Identification of Potential Lead Compounds to Treat COVID-19

2021 ◽  
Vol 8 ◽  
Author(s):  
Muthumanickam Sankar ◽  
Balajee Ramachandran ◽  
Boomi Pandi ◽  
Nachiappan Mutharasappan ◽  
Vidhyavathi Ramasamy ◽  
...  
Keyword(s):  
Binding Affinity ◽  
Conformational Changes ◽  
Viral Entry ◽  
In Silico ◽  
Binding Free Energy ◽  
Curcuma Longa ◽  
Zingiber Officinale ◽  
Dynamics Simulation ◽  
Piper Nigrum ◽  
The Stability

COVID-19 is one of the members of the coronavirus family that can easily assail humans. As of now, 10 million people are infected and above two million people have died from COVID-19 globally. Over the past year, several researchers have made essential advances in discovering potential drugs. Up to now, no efficient drugs are available on the market. The present study aims to identify the potent phytocompounds from different medicinal plants (Zingiber officinale, Cuminum cyminum, Piper nigrum, Curcuma longa, and Allium sativum). In total, 227 phytocompounds were identified and screened against the proteins S-ACE2 and Mpro through structure-based virtual screening approaches. Based on the binding affinity score, 30 active phytocompounds were selected. Amongst, the binding affinity for beta-sitosterol and beta-elemene against S-ACE2 showed −12.0 and −10.9 kcal/mol, respectively. Meanwhile, the binding affinity for beta-sitosterol and beta-chlorogenin against Mpro was found to be −9.7 and −8.4 kcal/mol, respectively. Further, the selected compounds proceeded with molecular dynamics simulation, prime MM-GBSA analysis, and ADME/T property checks to understand the stability, interaction, conformational changes, binding free energy, and pharmaceutical relevant parameters. Moreover, the hotspot residues such as Lys31 and Lys353 for S-ACE2 and catalytic dyad His41 and Cys145 for Mpro were actively involved in the inhibition of viral entry. From the in silico analyses, we anticipate that this work could be valuable to ongoing novel drug discovery with potential treatment for COVID-19.

scholarly journals Pemanfaatan Famili Zingiberaceae Sebagai Obat Tradisional oleh Masyarakat Suku Sasak di Desa Suranadi, Kecamatan Narmada, Kabupaten Lombok Barat

bionature ◽  
2020 ◽  
Vol 21 (2) ◽  
Author(s):  
Diah Meidatuzzahra ◽  
Rosalina Edy Swandayani
Keyword(s):  
Medicinal Plants ◽  
Traditional Medicine ◽  
Curcuma Longa ◽  
Zingiber Officinale ◽  
Tabular Form ◽  
Structured Interviews ◽  
Curcuma Amada ◽  
Kaempferia Galanga ◽  
Level Of Knowledge ◽  
Curcuma Xanthorrhiza

Abstract. One group of plants most used by Indonesians as traditional medicine are plants from the Zingiberaceae family. The aims this study is to assess the level of knowledge and use of the Zingiberaceae family as traditional medicine by the Sasak people in Suranadi Village, Narmada District. This research was conducted using a descriptive exploratory method, which is presented in tabular form. Data collection was carried out by direct observation and semi-structured interviews. Inventory and identification were carried out on the Zingiberaceae family plants found based on observations. Based on the results, it was found that 5 (five) types of medicinal plants in the Zingiberaceae family were used by the Sasak people, namely Jae (Zingiber officinale), Kunyiq (Curcuma longa), Sekoh (Kaempferia galanga), Temu mango (Curcuma amada), Temulawak (Curcuma xanthorrhiza)).Keywords: Zingiberaceae family, traditional medicine, Suranadi village.

scholarly journals Variation in the Chemical Composition of Five Varieties of Curcuma longa Rhizome Essential Oils Cultivated in North Alabama

Foods ◽  
2021 ◽  
Vol 10 (2) ◽  
pp. 212
Author(s):  
William N. Setzer ◽  
Lam Duong ◽  
Ambika Poudel ◽  
Srinivasa Rao Mentreddy
Keyword(s):  
United States ◽  
Essential Oils ◽  
Curcuma Longa ◽  
Southeastern United States ◽  
Traditional Herbal Medicine ◽  
Humid Climate ◽  
Tropical Regions ◽  
Chromatographic Techniques ◽  
Chemical Profiles ◽  
Bioactive Agents

Turmeric (Curcuma longa L.) is an important spice, particularly is Asian cuisine, and is also used in traditional herbal medicine. Curcuminoids are the main bioactive agents in turmeric, but turmeric essential oils also contain health benefits. Turmeric is a tropical crop and is cultivated in warm humid environments worldwide. The southeastern United States also possesses a warm humid climate with a growing demand for locally sourced herbs and spices. In this study, five different varieties of C. longa were cultivated in north Alabama, the rhizome essential oils obtained by hydrodistillation, and the essential oils were analyzed by gas chromatographic techniques. The major components in the essential oils were α-phellandrene (3.7–11.8%), 1,8-cineole (2.6–11.7%), α-zingiberene (0.8–12.5%), β-sesquiphellandrene (0.7–8.0%), ar-turmerone (6.8–32.5%), α-turmerone (13.6–31.5%), and β-turmerone (4.8–18.4%). The essential oil yields and chemical profiles of several of the varieties are comparable with those from tropical regions, suggesting that these should be considered for cultivation and commercialization in the southeastern United States.

scholarly journals Bioactive Compounds from Marine Sponges: Fundamentals and Applications

Marine Drugs ◽  
2021 ◽  
Vol 19 (5) ◽  
pp. 246
Author(s):  
Disha Varijakzhan ◽  
Jiun-Yan Loh ◽  
Wai-Sum Yap ◽  
Khatijah Yusoff ◽  
Rabiha Seboussi ◽  
...  
Keyword(s):  
Bioactive Compounds ◽  
Antimicrobial Agents ◽  
Marine Sponges ◽  
The Novel ◽  
Human Pathogens ◽  
Fish Pathogens ◽  
Tropical Regions ◽  
Theonella Swinhoei ◽  
Ability To Act ◽  
Sessile Invertebrates

Marine sponges are sessile invertebrates that can be found in temperate, polar and tropical regions. They are known to be major contributors of bioactive compounds, which are discovered in and extracted from the marine environment. The compounds extracted from these sponges are known to exhibit various bioactivities, such as antimicrobial, antitumor and general cytotoxicity. For example, various compounds isolated from Theonella swinhoei have showcased various bioactivities, such as those that are antibacterial, antiviral and antifungal. In this review, we discuss bioactive compounds that have been identified from marine sponges that showcase the ability to act as antibacterial, antiviral, anti-malarial and antifungal agents against human pathogens and fish pathogens in the aquaculture industry. Moreover, the application of such compounds as antimicrobial agents in other veterinary commodities, such as poultry, cattle farming and domesticated cats, is discussed, along with a brief discussion regarding the mode of action of these compounds on the targeted sites in various pathogens. The bioactivity of the compounds discussed in this review is focused mainly on compounds that have been identified between 2000 and 2020 and includes the novel compounds discovered from 2018 to 2021.

scholarly journals Extraction of bioactive compounds from Curcuma longa L. using deep eutectic solvents: In vitro and in vivo biological activities

2021 ◽  
pp. 102697
Author(s):  
Grazielle Oliveira ◽  
Caroline Marques ◽  
Anielle de Oliveira ◽  
Amanda de Almeida dos Santos ◽  
Wanderlei do Amaral ◽  
...  
Keyword(s):  
Bioactive Compounds ◽  
Biological Activities ◽  
Curcuma Longa ◽  
Deep Eutectic Solvents
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