Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

Bioactive compounds from mangosteen (Garcinia mangostana L.) as an antiviral agent via dual inhibitor mechanism against SARSCoV-2: an in silico approach

ANM Ansori, VD Kharisma, AA Parikesit… - Pharmacognosy …, 2022 - phcogj.com
Severe acute respiratory syndrome coronavirus 2 (SARS‑CoV‑2) is the virus that causes
COVID-19 which is responsible for respiratory illness infection in humans. The virus was first …

Extract of Murraya koenigii selectively causes genomic instability by altering redox-status via targeting PI3K/AKT/Nrf2/caspase-3 signaling pathway in human non …

P Mondal, J Natesh, D Penta, SM Meeran - Phytomedicine, 2022 - Elsevier
Background Lung cancer is the leading cause of cancer-related death worldwide. Dietary
bioactives have been used as alternative therapeutics to overcome various adverse effects …

Central Countries' and Brazil's Contributions to Nanotechnology

JF Santos, L del Rocío Silva-Calpa… - Current …, 2024 - benthamdirect.com
Nanotechnology is a cornerstone of the scientific advances witnessed over the past few
years. Nanotechnology applications are extensively broad, and an overview of the main …

Mahanimbine isolated from Murraya koenigii inhibits P-glycoprotein involved in lung cancer chemoresistance

P Mondal, J Natesh, AAA Salam, SM Meeran - Bioorganic Chemistry, 2022 - Elsevier
Abstract P-glycoprotein (P-gp), a transmembrane glycoprotein, is mainly involved in lung
cancer multidrug resistance. Several P-gp inhibitors have been developed to enhance the …

Exploration of anti-HIV phytocompounds against SARS-CoV-2 main protease: Structure-based screening, molecular simulation, ADME analysis and conceptual DFT …

M Murali, HG Gowtham, N Shilpa, HKN Krishnappa… - Molecules, 2022 - mdpi.com
The ever-expanding pandemic severe acute respiratory syndrome coronavirus 2 (SARS-
CoV-2) infection has gained attention as COVID-19 and caused an emergency in public …

Buyang huanwu decoction inhibits diabetes-accelerated atherosclerosis via reduction of AMPK-Drp1-mitochondrial fission axis

W Tong, L Leng, Y Wang, J Guo, FB Owusu… - Journal of …, 2023 - Elsevier
Abstract Ethnopharmacological relevance Traditional Chinese drugs, including Buyang
Huanwu decoction (BYHWD), have been used in traditional practice to manage …

Identification of hub genes associated with EMT-induced chemoresistance in breast cancer using integrated bioinformatics analysis

B Kaur, Y Mukhlis, J Natesh, D Penta, SM Meeran - Gene, 2022 - Elsevier
Chemoresistance is one of the major challenges in the treatment of breast cancer. Recent
evidence suggests that epithelial-to-mesenchymal transition (EMT) plays a critical role in not …

Dietary diindolylmethane enhances the therapeutic effect of centchroman in breast cancer by inhibiting neoangiogenesis

D Penta, J Natesh, P Mondal, SM Meeran - Nutrition and Cancer, 2023 - Taylor & Francis
Tumor angiogenesis is primarily regulated by vascular endothelial growth factor and its
receptor (VEGF-VEGFR) communication, which is involved in cancer cell growth …

Computational investigation of phytoalexins as potential antiviral RAP-1 and RAP-2 (Replication Associated Proteins) inhibitor for the management of cucumber …

R Mohan Kumar, R Anantapur, A Peter… - Journal of Biomolecular …, 2022 - Taylor & Francis
Abstract The Replication Associated Proteins (RAP-1 and RAP-2) encoded by CMV ORF 1a
and ORF 2a are required for the different stages of the viral replication cycle; being multi …