Cyclohexane-1, 3-dione derivatives as future therapeutic agents for NSCLC: QSAR modeling, in silico ADME-Tox properties, and structure-based drug designing …
The abnormal expression of the c-Met tyrosine kinase has been linked to the proliferation of
several human cancer cell lines, including non-small-cell lung cancer (NSCLC). In this …
several human cancer cell lines, including non-small-cell lung cancer (NSCLC). In this …
Metal Complexes in Target‐Specific Anticancer Therapy: Recent Trends and Challenges
Cancer is characterized by abnormal cell differentiation in or on the part of the body. The
most commonly used chemotherapeutic drugs are developed to target rapidly dividing cells …
most commonly used chemotherapeutic drugs are developed to target rapidly dividing cells …
Dual synergistic inhibition of COX and LOX by potential chemicals from Indian daily spices investigated through detailed computational studies
Abstract Cyclooxygenase (COX) and Lipoxygenase (LOX) are essential enzymes for
arachidonic acid (AA) to eicosanoids conversion. These AA-derived eicosanoids are …
arachidonic acid (AA) to eicosanoids conversion. These AA-derived eicosanoids are …
[HTML][HTML] Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (Mpro …
RK Mohapatra, L Perekhoda, M Azam… - Journal of King Saud …, 2021 - Elsevier
In this study, we examined five previously synthesized compounds and checked their
binding affinity towards the SARS-CoV-2 main protease (M pro) by molecular docking study …
binding affinity towards the SARS-CoV-2 main protease (M pro) by molecular docking study …
[HTML][HTML] In silico studies on phytochemicals to combat the emerging COVID-19 infection
The current COVID-19 pandemic, caused by the severe acute respiratory syndrome
coronavirus-2 (SARS-CoV-2) and its variants, remains a serious health hazard globally. The …
coronavirus-2 (SARS-CoV-2) and its variants, remains a serious health hazard globally. The …
Synthesis, spectroscopic investigations, topological non-covalent interactions, chemical reactivity, molecular docking and molecular dynamic simulation on piperazine …
Piperazine Succinate (PZSN) has been synthesized and extensively analyzed using various
spectroscopic techniques, including FT-IR, FT-Raman and NMR spectra. In optimizing …
spectroscopic techniques, including FT-IR, FT-Raman and NMR spectra. In optimizing …
Computational Investigations for Identification of Bioactive Molecules from Baccaurea ramiflora and Bergenia ciliata as Inhibitors of SARS-CoV-2 Mpro
In this study, a hybrid compound library of 72 phytocompounds from two antiviral medicinal
plants (Baccaurea ramiflora and Bergenia ciliata) was computationally investigated for their …
plants (Baccaurea ramiflora and Bergenia ciliata) was computationally investigated for their …
Synthesis, structural investigations, XRD, DFT, anticancer and molecular docking study of a series of thiazole based Schiff base metal complexes
A novel Schiff base (SB) ligand, abbreviated as HDMPM, resulted from the condensation of
2-amino-4-phenyl-5-methyl thiazole and 4-(diethylamino) salicyaldehyde, and its metal …
2-amino-4-phenyl-5-methyl thiazole and 4-(diethylamino) salicyaldehyde, and its metal …
[HTML][HTML] Cytotoxic urea Schiff base complexes for multidrug discovery as anticancer activity and low in vivo oral assessing toxicity
LM Aroua, AN Al-Hakimi, MAM Abdulghani… - Arabian Journal of …, 2022 - Elsevier
Novel mononuclear complexes 2–8 derived from hybrid Urea Schiff base HL were
synthesized using various metal Ni 2+, Fe 3+, Cu 2+, Co 2+, Mn 2+, Zn 2+, and Cr 3+. The …
synthesized using various metal Ni 2+, Fe 3+, Cu 2+, Co 2+, Mn 2+, Zn 2+, and Cr 3+. The …
[HTML][HTML] Computational studies on potential new anti-Covid-19 agents with a multi-target mode of action
RK Mohapatra, M Azam, PK Mohapatra… - Journal of King Saud …, 2022 - Elsevier
A compound that could inhibit multiple targets associated with SARS-CoV-2 infection would
prove to be a drug of choice against the virus. Human receptor-ACE2, receptor binding …
prove to be a drug of choice against the virus. Human receptor-ACE2, receptor binding …