Atosiban and Rutin exhibit anti-mycobacterial activity-An integrated computational and biophysical insight toward drug repurposing strategy against Mycobacterium …

R Sharma, SA Muthu, M Agarwal, NK Mehto… - International Journal of …, 2023 - Elsevier
With the advancements of high throughput computational screening procedures, drug
repurposing became the privileged framework for drug discovery. The structure-based drug …

Anti-tubercular activity evaluation of natural compounds by targeting Mycobacterium tuberculosis resuscitation promoting factor B inhibition: An in silico study

AA Rabaan, M Garout, M Aljeldah, BR Al Shammari… - Molecular Diversity, 2024 - Springer
Tuberculosis (TB), an infectious disease caused by the Mycobacterium tuberculosis (Mtb),
has been responsible for the deaths of millions of individuals around the globe. A vital …

Use of hybrid molecular simulation techniques for systematic analysis of polyphenols as promising therapeutic agent against SARS-CoV-2

S Muhammad, S UrRehman, M Zia, S Bibi… - Journal of Molecular …, 2024 - Elsevier
In our current study, we systematically report the four phenol classes via three-layer in silico
screening approaches consisting of quantum chemical methods, molecular docking and …

[HTML][HTML] Anti Mtb Medicinal Plants Database (AMMPDB): A curated database of Indian anti-tubercular medicinal plants

J Kanneganti, U Mina, A Singh, A Gautam… - Journal of Ayurveda and …, 2023 - Elsevier
The utilization of medicinal plants for their therapeutic properties has long been a key
component of Indian culture. Unique medicinal characteristics can be found in the …

Novel series of hydrazones carrying pyrazole and triazole moiety: Synthesis, structural elucidation, quantum computational studies and antiviral activity against SARS …

DV Geetha, CL Sharath, N Shivakumar… - Journal of Molecular …, 2024 - Elsevier
The novel series of hydrazones carrying both pyrazole and triazole moiety were synthesized
and characterized using single crystal X-ray diffraction studies. It is found that the compound …

Identification of natural potent inhibitors against Mycobacterium tuberculosis isocitrate lyase: an in silico study

AA Rabaan, MA Halwani, M Garout, SA Turkistani… - Molecular Diversity, 2023 - Springer
Tuberculosis (TB) is a global burden to humanity due to its adverse effects on health and
society since time is not clearly defined. The existence of drug-resistant strains and the …

Discovery of Natural Products to SARS-CoV-2 with Comparative Molecular Docking and Moderate Cell Proliferation Inhibition in vitro

S Yang, X Hu, J Zhu, B Zheng, H Tian, J Zhang… - 2024 - preprints.org
Based on screening in computational biology and biological in vitro assays, five natural
products isolated from extracts of the herbal medicine toad skin, such as cinobufagin (CBFi) …

Withania somnifera as a potential nanomedicine: A review

AA Shami, E Abid, L Tanveer - NUST Journal of Natural Sciences, 2024 - njns.nust.edu.pk
Withania somnifera, commonly known as Ashwaganda, is an important medicinal plant for a
long time. Roots, seeds and other parts of Ashwaganda have clinically important …

Anti-SARS-CoV-2 activity of steroids from traditional Chinese medicines in vitro

S Yang, X Hu, B Zheng, J Zhang, X Wang, W Bi, J Zhu - 2024 - researchsquare.com
Five steroids isolated from extracts of the skin of the herbal medicine toad, such as
cinobufagin (CBFi), bufalin (BFi), arenobufagin (ABFi), telocinobufagin (TBFi), and bufotalin …

[PDF][PDF] Current and Future Prospective in Management of Tuberculosis

R Doke, T Naik, A Bhagwat, R Deokar, M Swamy - researchgate.net
Tuberculosis is chronic airborne bacterial infection caused by Mycobacterium tuberculosis,
characterized by respiratory illness, impaired immune systems and is one of the leading …