Selective inhibitors of medium-size S1′ pocket matrix metalloproteinases: a stepping stone of future drug discovery

SK Baidya, S Banerjee, N Adhikari… - Journal of Medicinal …, 2022 - ACS Publications
Among various matrix metalloproteinases (MMPs), MMPs having medium-size S1′ pockets
are established as promising biomolecular targets for executing crucial roles in cancer …

Anticancer Drug Discovery based on Natural products: from computational approaches to Clinical studies

P Chunarkar-Patil, M Kaleem, R Mishra, S Ray… - Biomedicines, 2024 - mdpi.com
Globally, malignancies cause one out of six mortalities, which is a serious health problem.
Cancer therapy has always been challenging, apart from major advances in …

Bifunctional HDAC therapeutics: one drug to rule them all?

JP Smalley, SM Cowley, JT Hodgkinson - Molecules, 2020 - mdpi.com
Histone deacetylase (HDAC) enzymes play crucial roles in epigenetic gene expression and
are an attractive therapeutic target. Five HDAC inhibitors have been approved for cancer …

Paradigm shift of “classical” HDAC inhibitors to “hybrid” HDAC inhibitors in therapeutic interventions

GN Vaidya, P Rana, A Venkatesh… - European journal of …, 2021 - Elsevier
Abstract 'Epigenetic'regulation of genes via post-translational modulation of proteins is the
current mainstay approach for the disease therapies, particularly explored in the Histone …

Is dual inhibition of metalloenzymes HDAC-8 and MMP-2 a potential pharmacological target to combat hematological malignancies?

SA Amin, N Adhikari, T Jha - Pharmacological Research, 2017 - Elsevier
For the last three decades, metalloenzymes such as histone deacetylases (HDACs) and
matrix metalloproteinases (MMPs) have been identified in promoting solid as well as …

Robust design of some selective matrix metalloproteinase-2 inhibitors over matrix metalloproteinase-9 through in silico/fragment-based lead identification and de novo …

N Adhikari, AK Halder, S Mallick, A Saha… - Bioorganic & Medicinal …, 2016 - Elsevier
Broad range of selectivity possesses serious limitation for the development of matrix
metalloproteinase-2 (MMP-2) inhibitors for clinical purposes. To develop potent and …

Design of dual MMP-2/HDAC-8 inhibitors by pharmacophore mapping, molecular docking, synthesis and biological activity

AK Halder, S Mallick, D Shikha, A Saha, KD Saha… - RSC …, 2015 - pubs.rsc.org
Recent analyses have highlighted the promotion of cancer migration and invasion, mediated
through HDAC via MMP-2 and MMP-9. Since both class 1 HDACs and MMP-2/9 are …

Insight into the structural requirements of gelatinases (MMP-2 and MMP-9) inhibitors by multiple validated molecular modelling approaches: Part II

S Das, SA Amin, S Gayen, T Jha - SAR and QSAR in …, 2022 - Taylor & Francis
Inhibition of the matrix metalloproteinases (MMPs) is effective against metastasis of
secondary tumours. Previous MMP inhibitors have failed in clinical trials due to their off …

Ligand-based design of anticancer MMP2 inhibitors: a review

S Sanyal, SA Amin, N Adhikari, T Jha - Future Medicinal Chemistry, 2021 - Taylor & Francis
MMP2, a Zn2+-dependent metalloproteinase, is related to cancer and angiogenesis.
Inhibition of this enzyme might result in a potential antimetastatic drug to leverage the …

Insight into the structural requirement of aryl sulphonamide based gelatinases (MMP-2 and MMP-9) inhibitors–Part I: 2D-QSAR, 3D-QSAR topomer CoMFA and Naïve …

S Das, SA Amin, T Jha - SAR and QSAR in Environmental …, 2021 - Taylor & Francis
Gelatinases [gelatinase A–matrix metalloproteinase-2 (MMP-2), gelatinase B–matrix
metalloproteinase-9 (MMP-9)] play key roles in many disease conditions including cancer …