Ethyl 2-(4-methoxyphenyl)-3-(thiophene-2-carbonyl)cyclopropanecarboxylates 2(a-f) and ethyl 4-aryl-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylates 4(a-f) were synthesized by simple procedure. The synthesized new compounds were screened in vitro for their antimicrobial and antioxidant activities. The compounds 2b and 4f showed excellent antibacterial activity; while 2b and 4f showed rem...

Dengue is mosquito borne viral disease, having no effective antiviral chemotherapy nor approved vaccine available. Therefore the design of new drugs to combat dengue virus replication is a challenge for researchers. Flavanone derivatives and substituted pyrimidine derivatives show antidengue activity in silico and in vitro. We report the docking study, ADME prediction of benzopyranylpyrimidine ...

Advanced Glycation End products (AGEs) interaction with Receptor for AGEs (RAGE) activates downstream signaling and evokes inflammatory responses in vascular cells. Therefore, it is of interest to design a novel series of molecules with a library of 352 compounds based on natural Isoflavone and Argpyrimidine moities. The compounds screened against the optimized structure of RAGE (PDB code: 3CJJ...

Human papillomaviruses (HPV) are a group of strong human carcinogen viruses considered to be the fourth leading cause of mortality among women in the world. HPV is the most important cause of cervical cancer, which is the second most common cancer in women living in low and middle-income countries. To date, there is no effective cure for an ongoing HPV infection; therefore, it is required to in...

Background Shenqisherong pill (SQSRP) has been used clinically to treat cervical spondylotic myelopathy (CSM) with satisfactory results; however, its active ingredients and mechanisms are unclear. The present study aimed explore the molecular of SQSRP against CSM using network pharmacology docking. Methods compounds in were obtained from public databases related literature, oral bioavailability...

In spite of availability of moderately protective vaccine and antibiotics, new antibacterial agents are urgently needed to decrease the global incidence of Klebsiella pneumonia infections. MurF ligase, a key enzyme, which participates in the bacterial cell wall assembly, is indispensable to existence of K. pneumonia. MurF ligase lack mammalian vis-à-vis and have high specificity, uniqueness, an...

Objectives: The bioactive phytocompounds present in Zingiber officinale were assessed for their tumor-suppressing activity against TP-53 BP1 linked to hepatocellular carcinoma. Methods: study investigates the interaction of phytochemicals from Ginger (Zingiber officinale) with tumor protein TP53. Drug likeness chosen ligand was evaluated using SWISS ADME. Autodock tools used investigate interac...

Introduction and Aim: The outbreak of Covid-19 pandemic since December 2019 has raised serious global health concern. Because rapid human to transmission non-availability clinically proven drugs or vaccines, this created a great threat mankind. Many naturally derived molecules are being investigated for the treatment Covid-19. Ocimum americanum is one such significant medicinal plant possessing...

The objective of this study is to identify novel HIV-1 integrase (IN) inhibitors. Here, shape-based screening and QSAR have been successfully implemented to identify the novel inhibitors for HIV-1 IN, and in silico validation is performed by docking studies. The 2D QSAR model of benzodithiazine derivatives was built using genetic function approximation (GFA) method with good internal (cross-val...