Molecular insights into the in silico discovery of corilagin from Terminalia chebula as a potential dual inhibitor of SARS-CoV-2 structural proteins

S Pradeep, SM Patil, C Dharmashekara… - Journal of …, 2023 - Taylor & Francis
The spike (S) glycoprotein and nucleocapsid (N) proteins are the crucial pathogenic proteins
of the Severe Acute Respiratory Syndrome Coronavirus-2 (SARS CoV-2) virus during its …

Structure based drug designing approaches in SARS-CoV-2 spike inhibitor design

A Shanmugam, A Venkattappan… - Current Topics in …, 2022 - ingentaconnect.com
The COVID-19 outbreak and the pandemic situation have hastened the research community
to design a novel drug and vaccine against its causative organism, the SARS-CoV-2. The …

Virtual screening of potential inhibitor against breast cancer-causing estrogen receptor alpha (ERα): molecular docking and dynamic simulations

S Muhammad, A Saba, RA Khera… - Molecular …, 2022 - Taylor & Francis
Breast cancer (Bca) causes the highest rate of mortality in females owing to the out-of-
control cell division in breast cells. In this work, we perform an in-silico screening based on …

3D Porous Polymer Scaffold-Conjugated KGF-Mimetic Peptide Promotes Functional Skin Regeneration in Chronic Diabetic Wounds

S Choudhury, M Madhu Krishna, D Sen… - … Applied Materials & …, 2024 - ACS Publications
The re-epithelialization process gets severely dysregulated in chronic nonhealing diabetic
foot ulcers/wounds. Keratinocyte growth factor (KGF or FGF-7) is the major modulator of the …

Structure-based drug design-guided identification of estrogen receptor binders

R Samanta, KK Pradhan, D Sen, S Kar, M Ghosh - Molecular diversity, 2024 - Springer
Cancer is one of the life-threatening diseases and the second leading cause of death in the
world. The estrogen receptor can be considered as one of the significant drug targets for …

Exploring Chemical Space to Identify Partial Binders Against hMPV Nucleocapsid Protein

M Verma, NS Panchal, PK Yadav - Journal of Cellular …, 2024 - Wiley Online Library
Human metapneumovirus (hMPV) has gained prominence in recent times as the
predominant etiological agent of acute respiratory tract infections. This virus targets children …

Structure-based Virtual Screening from Natural Products as Inhibitors of SARS-CoV-2 Spike Protein and ACE2 Receptor Binding and their Biological Evaluation In …

T Delgado-Maldonado… - Medicinal …, 2024 - ingentaconnect.com
Background: In the last years, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-
2) caused more than 760 million infections and 6.9 million deaths. Currently, remains a …

Chemical Composition, in vitro Antifungal Activity, Molecular Docking and Molecular Dynamics Simulation Studies of the Essential Oil of Ballota hirsuta

O Ou-Ani, S Moujane, L Oucheikh… - Journal of Biologically …, 2023 - Taylor & Francis
Biologically active compounds extracted from plants, such as essential oils (EOs) have
offered a promising alternative to control phytopathogens in the food industries. The present …

[引用][C] In Silico Development of Anticancer Drugs

V Verma - 2022 - ACCRR)