A review on computational studies and bioinformatics analysis of potential drugs against monkeypox virus

FMA Hossain, MNI Bappy, TB Robin… - Journal of …, 2024 - Taylor & Francis
Monkeypox, a viral disease that is caused by monkeypox virus and occurs mainly in central
and western Africa. However, recently it is spreading worldwide and took the focus of the …

Dalbergia sissoo phytochemicals as EGFR inhibitors: an in vitro and in silico approach

HN Naik, D Kanjariya, S Parveen, A Meena… - Journal of …, 2024 - Taylor & Francis
The safest and most effective sources of medications are natural and traditional medicines
derived from plants and herbs. In Western India, various parts of the Dalbergia sissoo plant …

Chrysin based pyrimidine-piperazine hybrids: design, synthesis, in vitro antimicrobial and in silico E. coli topoisomerase II DNA gyrase efficacy

KB Patel, D Rajani, I Ahmad, H Patel, HD Patel… - Molecular Diversity, 2024 - Springer
Ten chrysin-based pyrimidine-piperazine hybrids have been evaluated in vitro for
antimicrobial activity against eleven bacterial and two fungal strains. All compounds 5a–j …

New tetrahydroisoquinoline-4-carbonitrile derivatives as potent agents against cyclin-dependent kinases, crystal structures, and computational studies

Y El Bakri, S Karthikeyan, CH Lai… - Journal of …, 2024 - Taylor & Francis
The synthesis of two new hexahydroisoquinoline-4-carbonitrile derivatives (3a and 3b) is
reported along with spectroscopic data and their crystal structures. In compound 3a, the …

Insight into crystal structures and identification of potential styrylthieno[2,3-b]pyridine-2-carboxamidederivatives against COVID-19 Mpro through structure-guided …

Y El Bakri, B Ahmad, K Saravanan… - Journal of …, 2024 - Taylor & Francis
Abstract Anti-SARS-CoV-2 drugs are urgently needed to prevent the pandemic and for
immunization. Their protease inhibitor treatment for COVID-19 has been used in clinical …

Synthesis, Molecular Docking, Molecular Dynamic Simulation Studies, and Antitubercular Activity Evaluation of Substituted Benzimidazole Derivatives

S Thapa, MS Biradar, SL Nargund… - Advances in …, 2024 - Wiley Online Library
Tuberculosis, also known as TB, is a widespread bacterial infection that remains a
significant global health issue. This study focuses on conducting a thorough investigation …

Synthesis, DFT Calculations, In Silico Studies, and Antimicrobial Evaluation of Benzimidazole-Thiadiazole Derivatives

A Işık, U Acar Çevik, A Karayel, I Ahmad, H Patel… - ACS …, 2024 - ACS Publications
In this study, a series of new benzimidazole-thiadiazole hybrids were synthesized, and the
synthesized compounds were screened for their antimicrobial activities against eight …

Phytochemicals and enzymes inhibitory potentials of leaves and rootbarks of Sarcocephallus latifolius (smith): In vitro and in silico investigations

AT Ajiboye, OT Asekun, YO Ayipo, MN Mordi… - Fitoterapia, 2024 - Elsevier
In this study, bioactive compounds were isolated and characterized from the leaves and root-
barks extracts of S. latifolius, with subsequent in vitro experimental investigations for …

In-silico and in-vitro evaluation of antifungal bioactive compounds from Streptomyces sp. strain 130 against Aspergillus flavus

M Kumar, Parveen, N Raj, S Khatoon… - Journal of …, 2024 - Taylor & Francis
Streptomyces spp. are considered excellent reservoirs of natural bioactive compounds. The
study evaluated the bioactive potential of secondary metabolites from Streptomyces sp …

Phytochemicals and Enzymes Inhibitory Potentials Ofleaves and Rootbarks of Sarcocephallus Latifolius (Smith): In Vitro and in Silico Investigations

AT Ajiboye, IA Khan, OT Asekun, OB Familoni, Z Ali… - papers.ssrn.com
In this study, bioactive compounds were isolated and characterized from the leaves and root-
barks extracts of S. latifolius, with subsequent in vitro experimental investigations for …