Methyl elaidate: A major compound of potential anticancer extract of Moringa oleifera seeds binds with bax and MDM2 (p53 inhibitor) In silico

2018 ◽  
Vol 14 (59) ◽  
pp. 554 ◽  
Author(s):  
Hasni Arsad ◽  
IsmailAbiola Adebayo ◽  
MohammedRazip Samian
Keyword(s):  
In Silico ◽  
Moringa Oleifera ◽  
Methyl Elaidate

Coagulation of organic pollutants by Moringa oleifera protein molecules: In silico approach

2021 ◽  
Author(s):  
Victoria Teniola Adeleke ◽  
Adebayo A Adeniyi ◽  
David Lokhat
Keyword(s):  
Wastewater Treatment ◽  
Organic Pollutants ◽  
In Silico ◽  
Moringa Oleifera ◽  
Seed Protein ◽  
Clean Water ◽  
Protein Extract ◽  
Natural Coagulant ◽  
Global Challenge ◽  
Protein Molecules

Availability of clean water for various activities is a global challenge. Moringa oleifera (MO) seed protein extract has been identified as a natural coagulant for wastewater treatment. The mechanistic understanding...

scholarly journals PREDIÇÃO FÍSICO-QUÍMICA, MODELAGEM E ANÁLISE DO MECANISMO DE INTERAÇÃO DA QUITINASE Mo-chi1 [Moringa oleifera, LAM.], COM POLI-β-(1-4)-N-ACETIL-D-GLUCOSAMINE: UMA ABORDAGEM in silico

2018 ◽  
Vol 5 (1) ◽  
pp. 111-120
Author(s):  
Lara Cristhian Costa Bezerra ◽  
Evaristo Wagner Alves de Queiroz ◽  
José Ednésio da Cruz Freire
Keyword(s):  
In Silico ◽  
Moringa Oleifera ◽  
Plant Genome ◽  
Autodock Vina ◽  
Genome Database ◽  
Chinese Herbal ◽  
Α Helix ◽  
Herbal Plant ◽  
Moringa Oleifera Lam

Quitinases são enzimas capazes de hidrolisar ligações β-(1,4) entre os resíduos de N-acetil-β-D-glucosamina (GlcNAc), presente em diversos organismos.  Elucidar as propriedades físico-químicas da Mo-chi1 identificada na planta Moringa oleifera empregando ferramentas in silico.  Após busca no Chinese Herbal Plant Genome Database, a sequência (ID: 10006495) foi analisada quanto ao peptídeo sinal, propriedades físico-químicas, pontes de sulfeto, domínios, estruturas secundárias, modelagem. O modo de interação entre Mo-chi1 e quitina foi predito com o programa AutoDock Vina.  A Mo-chi1 possui peptídeo sinal com 19 aminoácidos de comprimento (clivado: Ala19 e Ile20), formando polipeptídio maduro de 379 resíduos. A madura possui Mr = 39,56 kDa, pI = 5.44, II = 35.61 e GRAVY = -0.135. Possui uma ponte de sulfeto (5Cys-Cys398). Pertencer à família das GH18 com E-value de 7.43e-153 (CDD) e de 2.3e-90 (SMART). Detém predominância de β-folha (16,85–37%), seguidas de α-Helix (23,3–30,34%) e alças (39,5–52,81%). O estudo de docking molecular mostrou energia favorável a interação entre Mo-chi1 e GlcNAc com E-valor =  -5.9 kcal.mol-1. Embora a Mo-chi1 tenha apresentado propriedades físico-químicas semelhantes a outras quitinases GH18, são necessários estudos mais refinados a fim de identificar seu real potencial.

scholarly journals In Silico Approach of Potential Phytochemical Inhibitor from Moringa oleifera, Cocos nucifera, Allium cepa, Psidium guajava, and Eucalyptus globulus for the treatment of COVID-19 by Molecular Docking

2020 ◽  
Author(s):  
Ika Nur Fitriani ◽  
Wiji Utami ◽  
Adi Tiara Zikri ◽  
Pugoh Santoso
Keyword(s):  
Molecular Docking ◽  
Medicinal Plants ◽  
Oleanolic Acid ◽  
Allium Cepa ◽  
Bioactive Compounds ◽  
In Silico ◽  
Eucalyptus Globulus ◽  
Moringa Oleifera ◽  
Cocos Nucifera ◽  
Psidium Guajava

Abstract Background Coronavirus disease 2019 (COVID-19) is caused by infection with severe acute respiratory syndrome coronavirus 2. COVID-19 has devastating effects on people in all countries and getting worse. We aim to investigate an in-silico docking analysis of phytochemical compounds from medicinal plants that used to combat inhibition of the COVID-19 pathway. There are several phytochemicals in medicinal plants, however, the mechanism of bioactive compounds remains unclear. These results are obtained from in silico research provide further information to support the inhibition of several phytochemicals. Methods Molecular docking used to determine the best potential COVID-19 M pro inhibitor from several bioactive compounds in Moringa oleifera, Allium cepa, Cocos nucifera, Psidium guajava, and Eucalyptus globulus. Molecular docking was conducted and scored by comparison with standard drugs remdesivir. ADME properties of selected ligands were evaluated using the Lipinski Rule. The interaction mechanism of the most recommended compound predicted using the STITCH database. Results There was no recommended compound in Moringa oleifera as a potential inhibitor for COVID-19. Oleanolic acid in Allium cepa, α-tocotrienol in Cocos nucifera, asiatic acid in Psidium guajava and culinoside in Eucalyptus globulus were the most recommended compound in each medicinal plant. Oleanolic acid was reported to exhibit anti-COVID-19 activity with binding energy was − 9.20 kcal/mol. This score was better than remdesivir as standard drug. Oleanolic acid interacted through the hydrogen bond with HIS41, THR25, CYS44, GLU166. Oleanolic acid binding with CASP-3, CASP-9, and XIAP signaling pathway. Conclusions Oleanolic acid in Allium cepa found as a potential inhibitor of COVID-19 M-pro that should be examined in future studies. These results suggest that oleanolic acid may be useful in COVID-19 treatment.

scholarly journals In-silico elucidation of Moringa oleifera phytochemicals against diabetes mellitus

2020 ◽  
Vol 27 (9) ◽  
pp. 2299-2307 ◽  
Author(s):  
Bibi Zainab ◽  
Zainab Ayaz ◽  
Mona S. Alwahibi ◽  
Sajid Khan ◽  
Humaira Rizwana ◽  
...  
Keyword(s):  
Diabetes Mellitus ◽  
In Silico ◽  
Moringa Oleifera

Inhibition of Echis ocellatus venom metalloprotease by flavonoid-rich ethyl acetate sub-fraction of Moringa oleifera (Lam.) leaves: in vitro and in silico approaches

Toxin Reviews ◽  
2021 ◽  
pp. 1-11
Author(s):  
Akindele Oluwatosin Adeyi ◽  
Kaosarat Keji Mustapha ◽  
Babafemi Siji Ajisebiola ◽  
Olubisi Esther Adeyi ◽  
Damilohun Samuel Metibemu ◽  
...  
Keyword(s):  
Ethyl Acetate ◽  
In Silico ◽  
Moringa Oleifera ◽  
Moringa Oleifera Lam
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