Exploration of CviR-mediated quorum sensing inhibitors from Cladosporium spp. against Chromobacterium violaceum through computational studies

M Murali, F Ahmed, HG Gowtham, JO Aribisala… - Scientific Reports, 2023 - nature.com
An opportunistic human pathogenic bacterium, Chromobacterium violaceum resists the
potency of most antibiotics by exploiting the quorum sensing system within their community …

In Silico Computational Studies of Bioactive Secondary Metabolites from Wedelia trilobata against Anti-Apoptotic B-Cell Lymphoma-2 (Bcl-2) Protein Associated with …

HG Gowtham, F Ahmed, S Anandan, CS Shivakumara… - Molecules, 2023 - mdpi.com
In the present study, the binding affinity of 52 bioactive secondary metabolites from Wedelia
trilobata towards the anti-apoptotic B-cell lymphoma-2 (Bcl-2) protein (PDB: 2W3L) structure …

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 …

The combination of multi-approach studies to explore the potential therapeutic mechanisms of imidazole derivatives as an MCF-7 inhibitor in therapeutic strategies

M Rashid, A Maqbool, N Shafiq, YA Bin Jardan… - Frontiers in …, 2023 - frontiersin.org
Breast cancer covers a large area of research because of its prevalence and high frequency
all over the world. This study is based on drug discovery against breast cancer from a series …

Secondary metabolites of Trichoderma spp. as EGFR tyrosine kinase inhibitors: Evaluation of anticancer efficacy through computational approach

HG Gowtham, PD Revanasiddappa, M Murali… - Plos one, 2024 - journals.plos.org
The present study explores the epidermal growth factor receptor (EGFR) tyrosine kinase
inhibition efficacy of secondary metabolites in Trichoderma spp. through molecular docking …

[HTML][HTML] Berberine modulates cardiovascular diseases as a multitarget-mediated alkaloid with insights into its downstream signals using in silico prospective …

S Almowallad, R Al-Massabi - Saudi Journal of Biological Sciences, 2024 - Elsevier
Atherosclerosis is potentially correlated with several cardiac disorders that are greatly
associated with cellular oxidative stress generation, inflammation, endothelial cells …

Unlocking the potential of approved drugs for the allosteric inhibition of tropomyosin-receptor kinase A using molecular docking and molecular dynamics studies

RM Mukhtar, N Abdelmoniem, HA Elrufaie… - Frontiers in …, 2023 - frontiersin.org
Tropomyosin-receptor kinase A (TrkA) is the primary isoform among the tropomyosin-
receptor kinases that have been associated with human cancer development, contributing to …

[HTML][HTML] Bioprospection for antiviral compounds from selected medicinal plants against RNA polymerase of rotavirus A using molecular modelling and density …

AA Lanrewaju, AM Folami, S Sabiu… - Chemical Physics …, 2024 - Elsevier
Rotavirus A (RVA) infection remains a significant global health challenge, especially in
developing countries, causing severe dehydrating diarrhoea in children under five years of …

Concentration, pathogenic composition, and exposure risks of bioaerosol in large indoor public environments: A comparative study of urban and suburban areas

J Ni, S Huang, Z Liang, Z Chen, S Zhang, G Li… - Science of The Total …, 2024 - Elsevier
Biological contamination in larger indoor environments can lead to the outbreak of various
infectious diseases. This study aimed to compare the pollution profiles and associated …

Exploration of Type III effector Xanthomonas outer protein Q (XopQ) inhibitor from Picrasma quassioides as an antibacterial agent using chemoinformatics analysis

PD Revanasiddappa, HG Gowtham, C GS… - PloS one, 2024 - journals.plos.org
The present study was focused on exploring the efficient inhibitors of closed state (form) of
type III effector Xanthomonas outer protein Q (XopQ)(PDB: 4P5F) from the 44 …