[HTML][HTML] Targeting the Cyclin-Dependent Kinase Family in Anticancer Drug Discovery: From Computational to Experimental Studies

P Solanki, S Sarwadia, M Athar, PC Jha… - Chemical Physics …, 2024 - Elsevier
Uncontrolled cell proliferation, primarily regulated by cyclin-dependent kinases (CDKs), is a
critical driver of cancer progression, with dysregulation of CDKs contributing to various …

Modulating the phosphorylation status of target proteins through bifunctional molecules

Q He, Z Wang, R Wang, T Lu, Y Chen, S Lu - Drug Discovery Today, 2025 - Elsevier
Highlights•PBMs promote the spatial proximity of POIs to kinases/phosphatases to induce
phosphorylation/dephosphorylation of POIs.•PBMs emerge as promising paradigms for the …

Exploring the Anticancer Potential of Furanpydone A: A Computational Study on its Inhibition of MTHFD2 Across Diverse Cancer Cell Lines

MB Alhawarri - Cell Biochemistry and Biophysics, 2024 - Springer
Cancer poses a significant global health challenge due to its high mortality rate and complex
treatment strategies. Methylenetetrahydrofolate dehydrogenase 2 (MTHFD2), which is …

Vibrational, theoretical characterisation and In Silico investigation of Norcinnamolaurine: a natural lead for inhibiting AURKA and overcoming immune evasion in …

P Sangavi, S Muthu, JN Cheerlin Mishma… - Molecular …, 2024 - Taylor & Francis
Alkaloids represent a diverse category of natural compounds with noteworthy
pharmacological and therapeutic applications. Benzylisoquinoline alkaloids (BIAs) are …

[HTML][HTML] Homology modeling, binding site identification, molecular docking and molecular dynamics simulation study of emerging and promising drug target of Wnt …

V Goswami, D Patel, S Rohit, U Chaube, B Patel - Results in Chemistry, 2024 - Elsevier
Wnt signaling is a critical pathway involved in cell proliferation, differentiation and cellular
homeostasis. To address treatment need of diseases associated with the dysregulated Wnt …

[HTML][HTML] Identification of natural compound inhibitors for substrate-binding site of MTHFD2 enzyme: Insights from structure-based drug design and biomolecular …

N Rana, P Solanki, R Mehra, A Manhas - Chemical Physics Impact, 2025 - Elsevier
A computational structure-based drug design approach was employed to identify inhibitors
targeting the active site of the MTHFD2 enzyme. From a virtual screening of 2, 36,561 …

Development of Promising CDK5 Inhibitors Using Structure‐Based Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Approach

A Ghosh, S Bhambri, P Solanki, PC Jha… - …, 2024 - Wiley Online Library
Cancer is highlighted as one of the deadliest diseases globally, with CDK5 identified as a
key enzyme in cancer progression. Despite its potential as a therapeutic target, develo** …

Structure‐Based Computational Approach in Search of the Potent Molecules Targeting Phosphoglycerate Dehydrogenase (PHGDH) Enzyme for Cancer Treatment

P Solanki, A Manhas, D Patel, P Jha - ChemistrySelect, 2024 - Wiley Online Library
This work aims to target phosphoglycerate dehydrogenase (PHGDH), a promising
druggable target, that is overexpressed in various types of cancer. A structure‐based …

Screening of synthesized perimidine compounds for the assessment of antimicrobial potential: in-vitro and in-silico molecular docking and molecular dynamics …

N Sahiba, D Joshi, LK Agarwal, A Manhas, P Teli… - Discover …, 2024 - Springer
Presently, antimicrobial resistance is a major and worldwide concern due to high rate of
mutation in microorganisms, widespread use, lack of efficacy of drugs, and low drug …

[PDF][PDF] Results in Chemistry

V Goswami, D Patel, S Rohit, U Chaube, B Patel - researchgate.net
Wnt signaling is a critical pathway involved in cell proliferation, differentiation and cellular
homeostasis. To address treatment need of diseases associated with the dysregulated Wnt …