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 …
trilobata towards the anti-apoptotic B-cell lymphoma-2 (Bcl-2) protein (PDB: 2W3L) structure …
Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular …
HG Gowtham, M Murali, SB Singh, C Shivamallu… - Plos one, 2022 - journals.plos.org
Breast cancer is the second most common malignancy in females worldwide and poses a
great challenge that necessitates the identification of novel therapeutic agents from several …
great challenge that necessitates the identification of novel therapeutic agents from several …
How living cells are affected during the cold atmospheric pressure plasma treatment
When the electric discharge process is limited by high voltage electrodes shielding, the
ionization measure would be controlled to less than one percent and the temperature to less …
ionization measure would be controlled to less than one percent and the temperature to less …
Structure-based screening and validation of bioactive compounds as Zika virus methyltransferase (MTase) inhibitors through first-principle density functional theory …
S Bharadwaj, AK Rao, VD Dwivedi… - Journal of …, 2021 - Taylor & Francis
Recent Zika virus (ZIKV) outbreak and association with human diseases such as
neurological disorders have raised global health concerns. However, in the absence of an …
neurological disorders have raised global health concerns. However, in the absence of an …
Luminescence and in-silico studies of binding interactions of arylpiperazinyl-butylbenzoxazolone based synthetic compounds with bovine serum albumin
HT 7, a G-protein coupled receptor of CNS is important in regulating various functions of
brain. This study demonstrates the binding interactions of 5-HT specific six synthesized …
brain. This study demonstrates the binding interactions of 5-HT specific six synthesized …
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 …
inhibition efficacy of secondary metabolites in Trichoderma spp. through molecular docking …
Computational prediction of interaction and pharmacokinetics profile study for polyamino-polycarboxylic ligands on binding with human serum albumin
Human serum albumin (HSA) is one of the most abundant plasma proteins available in
blood and responsible for transport of fatty acids, drugs and metabolites at its two primary …
blood and responsible for transport of fatty acids, drugs and metabolites at its two primary …
Multi-level molecular modelling for plasma medicine
A Bogaerts, N Khosravian, J Van der Paal… - Journal of Physics D …, 2015 - iopscience.iop.org
Modelling at the molecular or atomic scale can be very useful for obtaining a better insight in
plasma medicine. This paper gives an overview of different atomic/molecular scale …
plasma medicine. This paper gives an overview of different atomic/molecular scale …
[HTML][HTML] In silico approach to design new cyclooxygenase-2 (COX-2) inhibitors based on MM/QM and ADMET analysis
In spite of the availability of inhibitors targeting the Cyclooxygenase-2 (COX-2) enzyme,
there persists a need for current medications, not solely within the realm of non-steroidal anti …
there persists a need for current medications, not solely within the realm of non-steroidal anti …
Evaluation of potential flavonoid inhibitors of glyoxalase-I based on virtual screening and in vitro studies
Glyoxalase-I (GLO-I) is a component of the ubiquitous detoxification system involved in the
conversion of methylglyoxal (MG) to d-lactate in the glycolytic pathway. MG toxicity arises …
conversion of methylglyoxal (MG) to d-lactate in the glycolytic pathway. MG toxicity arises …