Identification and computational analysis of mutations in SARS-CoV-2

T Dey, S Chatterjee, S Manna, A Nandy… - Computers in biology and …, 2021 - Elsevier
SARS-CoV-2 infection has become a worldwide pandemic and is spreading rapidly to
people across the globe. To combat the situation, vaccine design is the essential solution …

Exploring potential inhibitor of SARS-CoV2 replicase from FDA approved drugs using insilico drug discovery methods

A Chandra, V Gurjar, MZ Ahmed… - Journal of …, 2022 - Taylor & Francis
Abstract Severe Acute Respiratory Syndrome Corona Virus-2 (SARS-CoV2) is responsible
for fetal pneumonia called COVID19. SARS-CoV2 emerged in Wuhan, Hubei Province of …

Structural insight to hydroxychloroquine-3C-like proteinase complexation from SARS-CoV-2: inhibitor modelling study through molecular docking and MD-simulation …

S Mukherjee, S Dasgupta, T Adhikary… - Journal of …, 2021 - Taylor & Francis
The spread of novel coronavirus strain, Severe Acute Respiratory Syndrome 2 (SARS-CoV-
2) causes Coronavirus disease (COVID-19) has now spread worldwide and effecting the …

A comprehensive update of various attempts by medicinal chemists to combat COVID-19 through natural products

A Rafiq, T Jabeen, S Aslam, M Ahmad, UA Ashfaq… - Molecules, 2023 - mdpi.com
The ongoing COVID-19 pandemic has resulted in a global panic because of its continual
evolution and recurring spikes. This serious malignancy is caused by the severe acute …

Peptide modelling and screening against human ACE2 and spike glycoprotein RBD of SARS-CoV-2

SB Rathod, PB Prajapati, LB Punjabi, KN Prajapati… - In silico …, 2020 - Springer
Abstract Outbreak of Coronavirus Disease 2019 (COVID-19) has become a great challenge
for scientific community globally. Virus enters cell through spike glycoprotein fusion with …

Microscopic interactions between ivermectin and key human and viral proteins involved in SARS-CoV-2 infection

A Francés-Monerris, C García-Iriepa, I Iriepa… - Physical Chemistry …, 2021 - pubs.rsc.org
The identification of chemical compounds able to bind specific sites of the human/viral
proteins involved in the SARS-CoV-2 infection cycle is a prerequisite to design effective …

Prediction of α-Glucosidase Inhibitory Activity of LC-ESI-TQ-MS/MS-Identified Compounds from Tradescantia pallida Leaves

F Imtiaz, M Islam, H Saeed, A Ahmed, FK Hashmi… - Pharmaceutics, 2022 - mdpi.com
Diabetes is a chronic disease that leads to abnormal carbohydrate digestion and
hyperglycemia. The long-term use of marketed drugs results in secondary infections and …

In silico inquest reveals the efficacy of Cannabis in the treatment of post-Covid-19 related neurodegeneration

I Sarkar, G Sen, M Bhattacharya… - Journal of …, 2022 - Taylor & Francis
Abstract Coronavirus (SARS-CoV-2), the causative agent of the Covid-19 pandemic has
proved itself as the deadliest pathogen. A major portion of the population has become …

Pharmacophore study, molecular docking and molecular dynamic simulation of virgin coconut oil derivatives as anti-inflammatory agent against COX-2

KS Jack, MRB Asaruddin, SA Bhawani - Chemical and Biological …, 2022 - Springer
Background Virgin coconut oil is mostly made up of saturated fatty acids in which
approximately 72% are medium chain triglycerides. Medium chain triglycerides can be …

Assessing the effect of a series of mutations on the dynamic behavior of phosphite dehydrogenase using molecular docking, molecular dynamics and quantum …

S Baammi, R Daoud, A El Allali - Journal of Biomolecular Structure …, 2023 - Taylor & Francis
Discovered in Pseudomonas stutzeri, phosphite dehydrogenase (PTDH) is an enzyme that
catalyzes the oxidation of phosphite to phosphate while simultaneously reducing NAD+ to …