Structure-based virtual screening to discover potential lead molecules for the SARS-CoV-2 main protease

A Gahlawat, N Kumar, R Kumar… - Journal of chemical …, 2020 - ACS Publications
The COVID-19 disease is caused by a new strain of the coronavirus family (SARS-CoV-2),
and it has affected at present millions of people all over the world. The indispensable role of …

Rhapsody: predicting the pathogenicity of human missense variants

L Ponzoni, DA Peñaherrera, ZN Oltvai, I Bahar - Bioinformatics, 2020 - academic.oup.com
Motivation The biological effects of human missense variants have been studied
experimentally for decades but predicting their effects in clinical molecular diagnostics …

The ability of the absorbed energy in the flat-plate solar-collector'tubes for oil-water separation: An experimental-computational approach

AM Jahromi, J Khedri, DH Kadir, D Malekahmadi… - Sustainable Energy …, 2022 - Elsevier
The presence of water along with oil creates many technical and economic problems. The
accompanying oil will occupy part of the oil pipelines and thus increase the cost of oil …

Identification and in silico analysis of functional SNPs of human TAGAP protein: A comprehensive study

M Arshad, A Bhatti, P John - PloS one, 2018 - journals.plos.org
Genetic polymorphisms in TAGAP gene have been associated with many diseases
including rheumatoid arthritis, multiple sclerosis and other autoimmune disorders. Identifying …

Epigallocatechin gallate, an active green tea compound inhibits the Zika virus entry into host cells via binding the envelope protein

N Sharma, A Murali, SK Singh, R Giri - International journal of biological …, 2017 - Elsevier
Emerging infections of Zika virus (ZIKV) are associated with serious consequences like
microcephaly and Guillain-Barré syndrome. It leads to a situation of global health …

Association between APOA5 polymorphisms and susceptibility to metabolic syndrome: a systematic review and meta-analysis

S Mozafari, M Ashoori, SM Emami Meybodi, R Solhi… - BMC genomics, 2024 - Springer
Abstract Background The association between Apolipoprotein A5 (APOA5) genetic
polymorphisms and susceptibility to metabolic syndrome (MetS) has been established by …

Inhibition of Inducible Nitric Oxide Synthase (iNOS) by Andrographolide and In Vitro Evaluation of Its Antiproliferative and Proapoptotic Effects on Cervical Cancer

A Pasha, DV Kumbhakar, R Doneti… - Oxidative Medicine …, 2021 - Wiley Online Library
This work is aimed at investigating the expression levels of inducible nitric oxide synthase
(iNOS) in cervical cancer and identifying a potential iNOS inhibitor. The data mining studies …

Drug repurposing for Alzheimer's disease: in silico and in vitro investigation of FDA-approved drugs as acetylcholinesterase inhibitors

N Kumar, A Gahlawat, RN Kumar… - Journal of …, 2022 - Taylor & Francis
Alzheimer's disease (AD) is one of the most familiar multifactorial and complex
neurodegenerative disorders characterized by loss of cholinergic neurons in the brain. The …

In-silico investigation of E8 surface protein of the monkeypox virus to identify potential therapeutic agents

S Podduturi, D Vemula, S Singothu… - Journal of Biomolecular …, 2024 - Taylor & Francis
The re-emergence of the monkeypox virus (MPXV) in 2022 has become a global issue. The
virus was first found in Denmark in 1958. The first human MPXV disease was reported in …

Effect of novel leukemia mutations (K75E & E222K) on interferon regulatory factor 1 and its interaction with DNA: Insights from molecular dynamics simulations and …

B Kamaraj, AM Al-Subaie, F Ahmad… - Journal of …, 2021 - Taylor & Francis
Abstract Interferon regulatory factor 1 (IRF-1) plays a vital role in cell proliferation and cell
differentiation by acting as a tumor suppressor gene and its role is linked to various types of …