Phyto-carbazole alkaloids from the rutaceae family as potential protective agents against neurodegenerative diseases

MA Tan, N Sharma, SSA An - Antioxidants, 2022 - mdpi.com
Plant-derived (phyto) carbazole alkaloids are an important class of compounds, presented in
the family of Rutaceae (Genera Murraya, Clausena, Glycosmis, Micromelum and …

Advances in Machine Learning Screening of Food Bioactive Compounds

Y Zhang, X Bao, Y Zhu, Z Dai, Q Shen, Y Xue - Trends in Food Science & …, 2024 - Elsevier
Background Food contains abundant bioactive compounds that play a crucial role in human
health. However, conventional methods for screening food bioactive compounds (FBCs) are …

Computational Investigations for Identification of Bioactive Molecules from Baccaurea ramiflora and Bergenia ciliata as Inhibitors of SARS-CoV-2 Mpro

JH Zothantluanga, M Abdalla, M Rudrapal… - Polycyclic Aromatic …, 2023 - Taylor & Francis
In this study, a hybrid compound library of 72 phytocompounds from two antiviral medicinal
plants (Baccaurea ramiflora and Bergenia ciliata) was computationally investigated for their …

Active-site molecular docking of nigellidine with nucleocapsid–NSP2–MPro of COVID-19 and to human IL1R–IL6R and strong antioxidant role of Nigella sativa in …

S Maiti, A Banerjee, A Nazmeen… - Journal of Drug …, 2022 - Taylor & Francis
The recent outbreak of SARS CoV-2 has changed the global scenario of human
lives/economy. A significant number of the non-survivors showed cardiac renal vasculature …

Sterenin M as a potential inhibitor of SARS-CoV-2 main protease identified from MeFSAT database using molecular docking, molecular dynamics simulation and …

J Prajapati, R Patel, D Goswami, M Saraf… - Computers in Biology …, 2021 - Elsevier
The disease outbreak of Coronavirus disease-19 (COVID-19), caused by the novel SARS-
CoV-2 virus, remains a public health concern. COVID-19 is spreading rapidly with a high …

The effect of ethanolic leaves extract of Hymenodictyon floribundun on inflammatory biomarkers: a data-driven approach

AG Usman, MH Ahmad, RN Danraka… - Bulletin of the National …, 2021 - Springer
Background Medicinal plants are used to manage pain and inflammatory disorders in
traditional medicine. A scientific investigation could serve as a basis for the determination of …

Repurposing the antibacterial drugs for inhibition of SARS-CoV2-PLpro using molecular docking, MD simulation and binding energy calculation

R Patel, J Prajapati, P Rao, RM Rawal, M Saraf… - Molecular …, 2021 - Springer
Abstract Papain-like protease (nsp-3; non-structural protein) of novel corona virus is an ideal
target for developing drugs as it plays multiple important functions for viral growth and …

Unraveling the therapeutic potential of Senna singueana phytochemicals to attenuate pancreatic cancer using protein–protein interactions, molecular docking, and …

A Balkrishna, D Sharma, M Thapliyal, V Arya… - In Silico …, 2023 - Springer
Pancreatic cancer (PC) presents challenges due to limited treatment options and patients
seek complementary therapies alongside conventional treatments to improve well-being …

酶的理性设计在作物育种中的应用进展与前景展望.

王东辉, 王奥轩, 何长海, 刘志豪… - Journal of Henan …, 2024 - search.ebscohost.com
优良种质资源是粮食安全的重要保证, 传统育种技术存在周期长, 工作量庞大等问题.
随着生物学与计算机技术的深度融合, 针对作物关键基因进行定向优化的酶的理性设计 …

Perceiving SARS-CoV-2 Mpro and PLpro dual inhibitors from pool of recognized antiviral compounds of endophytic microbes: an in silico simulation study

J Prajapati, R Patel, P Rao, M Saraf, R Rawal… - Structural Chemistry, 2022 - Springer
Abstract Coronavirus disease 2019 (COVID-19) persists and shook the global population
where the endgame to this pandemic is brought on by developing vaccines in record …