Study of Caspase 8 inhibition for the management of Alzheimer's disease: a molecular docking and dynamics simulation

SS Ahmad, M Sinha, K Ahmad, M Khalid, I Choi - Molecules, 2020 - mdpi.com
Alzheimer's disease (AD) is the most common type of dementia and usually manifests as
diminished episodic memory and cognitive functions. Caspases are crucial mediators of …

Structure-based pharmacophore modeling, virtual screening and simulation studies for the identification of potent anticancerous phytochemical lead targeting cyclin …

M Sharma, N Sharma, M Muddassir… - Journal of …, 2022 - Taylor & Francis
Cyclin-dependent kinases are of critical importance in directing various cell cycle phases
making them as potential tumor targets. Cyclin-dependent kinase 2 (CDK2) in particular …

Molecular modeling, dynamic simulation, and metabolic reactivity studies of quinazoline derivatives to investigate their anti-angiogenic potential by targeting wild EGFRwt and …

AA Shah, N Kumar… - Journal of …, 2024 - Taylor & Francis
Non-small cell lung cancer, head and neck cancer, glioblastoma, and various other cancer
types often demonstrate persistent elevation in EGFR tyrosine kinase activity due to …

Ligand-based pharmacophore modeling, molecular docking and simulation studies for the exploration of natural potent antiangiogenic inhibitors targeting heat shock …

N Sharma, M Sharma, M Faisal… - Letters in Drug …, 2023 - ingentaconnect.com
Background: HSP90, a critical molecular chaperone, has become a promising molecular
target to be involved in multiple signaling pathways of tumor progression and metastasis …

Synthesis and antibacterial evaluation of 13-substituted cycloberberine derivatives as a novel class of anti-MRSA agents

TY Fan, YX Wang, S Tang, XX Hu, QX Zen… - European journal of …, 2018 - Elsevier
A series of new 13-substituted cycloberberine (CBBR) derivatives were prepared and
evaluated for their antibacterial activities against Gram-positive bacteria taking CBBR as the …

Evaluation of Wound Healing and Antibacterial Potential of Greyia radlkoferi Szyszyl. Ethanolic Leaf Extract

SR Loggenberg, D Twilley, MN De Canha… - Frontiers in …, 2022 - frontiersin.org
Angiogenesis is an essential mechanism in both physiological and pathological functions,
such as wound healing and cancer metastasis. Several growth factors mediate …

Quantitative structure activity relationship and molecular simulations for the exploration of natural potent VEGFR-2 inhibitors: an in silico anti-angiogenic study

N Sharma, M Sharma, QI Rahman… - Journal of …, 2021 - Taylor & Francis
VEGFR-2 has recently become an eye-catching molecular target for the novel therapeutic
designs against cancer for its well known role in persuading angiogenesis in tumor cells …

Molecular interaction of cryptophycin 52 with Caspase 8 for the management of lung cancer during coronavirus outbreak: A computational study

LH Bajrai, SS Sohrab, M Khalid, MA Kamal… - Cellular and Molecular …, 2022 - cellmolbiol.org
It has been seen that, during COVID-19 outbreak lung cancer (LC) patients are noted as a
high-risk population which make a more challenging to treatment of the LC patients. The …

In silico Mining and Identification of a Novel Lipase from Paenibacillus larvae: Rational Protein Design for Improving Catalytic Performance

M Lu, J Xu, Z Wang, Y Wang, J Wu, L Yang - Enzyme and Microbial …, 2024 - Elsevier
Lipases play a vital role in various biological processes, from lipid metabolism to industrial
applications. However, the ever-evolving challenges and diverse substrates necessitate the …

Evolution and antibacterial evaluation of 8-hydroxy-cycloberberine derivatives as a novel family of antibacterial agents against MRSA

YS Yang, W Wei, XX Hu, S Tang, J Pang, XF You… - Molecules, 2019 - mdpi.com
Twenty-five new derivatives of 8-hydroxycycloberberine (1) were synthesized and evaluated
for their activities against Gram-positive bacteria, taking 1 as the lead. Part of them displayed …